(4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide

C52H58Cl2N6O3S2 — CID 159619664

IUPAC(4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCC(N)CC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C27H30ClN3O2S.C25H28ClN3OS/c1-17(32)30-21-8-11-31(12-9-21)26(33)19-5-6-22(23(28)13-19)20-14-24(34-16-20)18-7-10-29-25(15-18)27(2,3)4;1-25(2,3)23-14-16(6-9-28-23)22-13-18(15-31-22)20-5-4-17(12-21(20)26)24(30)29-10-7-19(27)8-11-29/h5-7,10,13-16,21H,8-9,11-12H2,1-4H3,(H,30,32);4-6,9,12-15,19H,7-8,10-11,27H2,1-3H3
InChIKeyMNSQIBFMPSTNST-UHFFFAOYSA-N
MW950.12 g/mol
LogP12.16
Rot. Bonds7

About (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide

(4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide (PubChem CID 159619664) has the molecular formula C52H58Cl2N6O3S2 and a molecular weight of 950.12 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide
PubChem CID159619664
Molecular FormulaC52H58Cl2N6O3S2
Molecular Weight950.12 g/mol
Exact Mass948.34
IUPAC Name(4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCC(N)CC4)cc3Cl)cs2)ccn1
InChIInChI=1S/C27H30ClN3O2S.C25H28ClN3OS/c1-17(32)30-21-8-11-31(12-9-21)26(33)19-5-6-22(23(28)13-19)20-14-24(34-16-20)18-7-10-29-25(15-18)27(2,3)4;1-25(2,3)23-14-16(6-9-28-23)22-13-18(15-31-22)20-5-4-17(12-21(20)26)24(30)29-10-7-19(27)8-11-29/h5-7,10,13-16,21H,8-9,11-12H2,1-4H3,(H,30,32);4-6,9,12-15,19H,7-8,10-11,27H2,1-3H3
InChIKeyMNSQIBFMPSTNST-UHFFFAOYSA-N
XLogP12.16
TPSA121.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.12
LogP ≤ 512.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide with MolForge

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Related Compounds

4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chloro-N-(4-fluorophenyl)benzamide
CID 134263525
[4-(4-Bromothiophen-2-yl)-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone;[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134263571
[4-[4-(2-Tert-butylpyridin-4-yl)thiophen-2-yl]-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134263573
[4-[5-(2-Tert-butylpyridin-4-yl)thiophen-3-yl]-3-chlorophenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 134273160
[4-[5-(2-Tert-butylpyridin-4-yl)thiophen-3-yl]-3-chlorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 134273161
2,6-dichloro-4-methyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 15942210
6-chloro-2,4-dimethyl-N-[(3R)-3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 59590691
2-chloro-6-methyl-N-[3-[4-[[pyridin-3-yl(thiophen-3-yl)methyl]amino]piperidin-1-yl]butyl]benzamide
CID 68970490
2,6-dichloro-4-methyl-N-[3-[4-[(2-pyridin-2-ylacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide
CID 73201860
[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[(3R)-3-[(4-chlorophenyl)methylamino]piperidin-1-yl]methanone
CID 134263518
[4-[5-(2-Tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]-[3-[(4-chlorophenyl)methylamino]piperidin-1-yl]methanone
CID 134263524
[(3S)-3-aminopiperidin-1-yl]-[4-[4-(2-tert-butyl-4-pyridinyl)-5-methylthiophen-2-yl]-3-chlorophenyl]methanone
CID 134263532

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide (CID 159619664) is (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)c2ccc(-c3csc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)N4CCC(N)CC4)cc3Cl)cs2)ccn1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide?
The InChIKey is MNSQIBFMPSTNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN3O2S.C25H28ClN3OS/c1-17(32)30-21-8-11-31(12-9-21)26(33)19-5-6-22(23(28)13-19)20-14-24(34-16-20)18-7-10-29-25(15-18)27(2,3)4;1-25(2,3)23-14-16(6-9-28-23)22-13-18(15-31-22)20-5-4-17(12-21(20)26)24(30)29-10-7-19(27)8-11-29/h5-7,10,13-16,21H,8-9,11-12H2,1-4H3,(H,30,32);4-6,9,12-15,19H,7-8,10-11,27H2,1-3H3.
What are the key properties of (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide?
(4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide has a molecular weight of 950.12 g/mol, XLogP of 12.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorophenyl]methanone;N-[1-[4-[5-(2-tert-butyl-4-pyridinyl)thiophen-3-yl]-3-chlorobenzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 159619664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).