(2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

C113H113FN18O7S6 — CID 160667379

IUPAC(2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1csc(-c2cn[nH]c2)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(c2ccccc2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC(Oc2ccccc2)C1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC1C1=CC=CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCCC1Cc1ccccc1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C20H21N3OS.C19H18FN3OS.C19H19N3O2S.2C19H19N3OS.C17H17N3OS/c24-20(16-11-19(25-14-16)17-12-21-22-13-17)23-9-5-4-8-18(23)10-15-6-2-1-3-7-15;20-16-6-4-13(5-7-16)17-3-1-2-8-23(17)19(24)14-9-18(25-12-14)15-10-21-22-11-15;23-19(14-9-18(25-13-14)15-10-20-21-11-15)22-8-4-7-17(12-22)24-16-5-2-1-3-6-16;1-13-5-2-3-6-16(13)17-7-4-8-22(17)19(23)14-9-18(24-12-14)15-10-20-21-11-15;23-19(16-10-18(24-13-16)17-11-20-21-12-17)22-8-6-15(7-9-22)14-4-2-1-3-5-14;21-17(13-8-16(22-11-13)14-9-18-19-10-14)20-7-3-6-15(20)12-4-1-2-5-12/h1-3,6-7,11-14,18H,4-5,8-10H2,(H,21,22);4-7,9-12,17H,1-3,8H2,(H,21,22);1-3,5-6,9-11,13,17H,4,7-8,12H2,(H,20,21);2-3,5-6,9-12,17H,4,7-8H2,1H3,(H,20,21);1-5,10-13,15H,6-9H2,(H,20,21);1-2,4,8-11,15H,3,5-7H2,(H,18,19)
InChIKeyRMMDZFGTVFWLJK-UHFFFAOYSA-N
MW2046.67 g/mol
LogP25.05
Rot. Bonds20

About (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone

(2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (PubChem CID 160667379) has the molecular formula C113H113FN18O7S6 and a molecular weight of 2046.67 g/mol. Its IUPAC name is (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
PubChem CID160667379
Molecular FormulaC113H113FN18O7S6
Molecular Weight2046.67 g/mol
Exact Mass2044.73
IUPAC Name(2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
SMILESCc1ccccc1C1CCCN1C(=O)c1csc(-c2cn[nH]c2)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(c2ccccc2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC(Oc2ccccc2)C1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC1C1=CC=CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCCC1Cc1ccccc1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C20H21N3OS.C19H18FN3OS.C19H19N3O2S.2C19H19N3OS.C17H17N3OS/c24-20(16-11-19(25-14-16)17-12-21-22-13-17)23-9-5-4-8-18(23)10-15-6-2-1-3-7-15;20-16-6-4-13(5-7-16)17-3-1-2-8-23(17)19(24)14-9-18(25-12-14)15-10-21-22-11-15;23-19(14-9-18(25-13-14)15-10-20-21-11-15)22-8-4-7-17(12-22)24-16-5-2-1-3-6-16;1-13-5-2-3-6-16(13)17-7-4-8-22(17)19(23)14-9-18(24-12-14)15-10-20-21-11-15;23-19(16-10-18(24-13-16)17-11-20-21-12-17)22-8-6-15(7-9-22)14-4-2-1-3-5-14;21-17(13-8-16(22-11-13)14-9-18-19-10-14)20-7-3-6-15(20)12-4-1-2-5-12/h1-3,6-7,11-14,18H,4-5,8-10H2,(H,21,22);4-7,9-12,17H,1-3,8H2,(H,21,22);1-3,5-6,9-11,13,17H,4,7-8,12H2,(H,20,21);2-3,5-6,9-12,17H,4,7-8H2,1H3,(H,20,21);1-5,10-13,15H,6-9H2,(H,20,21);1-2,4,8-11,15H,3,5-7H2,(H,18,19)
InChIKeyRMMDZFGTVFWLJK-UHFFFAOYSA-N
XLogP25.05
TPSA303.17 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002046.67
LogP ≤ 525.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;methane;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-methylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
CID 159289962
(2-benzylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[(2S)-2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-methylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[5-(1H-pyrazol-4-yl)thiophen-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 160588158

Frequently Asked Questions

What is the IUPAC name of (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The IUPAC name of (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone (CID 160667379) is (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone.
What is the SMILES notation for (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The canonical SMILES for (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is Cc1ccccc1C1CCCN1C(=O)c1csc(-c2cn[nH]c2)c1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCC(c2ccccc2)CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC(Oc2ccccc2)C1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCC1C1=CC=CC1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCCC1Cc1ccccc1.O=C(c1csc(-c2cn[nH]c2)c1)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
The InChIKey is RMMDZFGTVFWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS.C19H18FN3OS.C19H19N3O2S.2C19H19N3OS.C17H17N3OS/c24-20(16-11-19(25-14-16)17-12-21-22-13-17)23-9-5-4-8-18(23)10-15-6-2-1-3-7-15;20-16-6-4-13(5-7-16)17-3-1-2-8-23(17)19(24)14-9-18(25-12-14)15-10-21-22-11-15;23-19(14-9-18(25-13-14)15-10-20-21-11-15)22-8-4-7-17(12-22)24-16-5-2-1-3-6-16;1-13-5-2-3-6-16(13)17-7-4-8-22(17)19(23)14-9-18(24-12-14)15-10-20-21-11-15;23-19(16-10-18(24-13-16)17-11-20-21-12-17)22-8-6-15(7-9-22)14-4-2-1-3-5-14;21-17(13-8-16(22-11-13)14-9-18-19-10-14)20-7-3-6-15(20)12-4-1-2-5-12/h1-3,6-7,11-14,18H,4-5,8-10H2,(H,21,22);4-7,9-12,17H,1-3,8H2,(H,21,22);1-3,5-6,9-11,13,17H,4,7-8,12H2,(H,20,21);2-3,5-6,9-12,17H,4,7-8H2,1H3,(H,20,21);1-5,10-13,15H,6-9H2,(H,20,21);1-2,4,8-11,15H,3,5-7H2,(H,18,19).
What are the key properties of (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone?
(2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone has a molecular weight of 2046.67 g/mol, XLogP of 25.05, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(2-cyclopenta-1,3-dien-1-ylpyrrolidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(4-fluorophenyl)piperidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;[2-(2-methylphenyl)pyrrolidin-1-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(3-phenoxypiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone;(4-phenylpiperidin-1-yl)-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 160667379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).