(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone

C26H35N3OS — CID 20940465

IUPAC(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H35N3OS/c30-25(28-18-16-27(17-19-28)22-12-6-2-7-13-22)24-20-23(21-10-4-1-5-11-21)26(31-24)29-14-8-3-9-15-29/h1,4-5,10-11,20,22H,2-3,6-9,12-19H2
InChIKeyUVRJRBGBRFGWNT-UHFFFAOYSA-N
MW437.65 g/mol
LogP5.50
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone (PubChem CID 20940465) has the molecular formula C26H35N3OS and a molecular weight of 437.65 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
PubChem CID20940465
Molecular FormulaC26H35N3OS
Molecular Weight437.65 g/mol
Exact Mass437.25
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C26H35N3OS/c30-25(28-18-16-27(17-19-28)22-12-6-2-7-13-22)24-20-23(21-10-4-1-5-11-21)26(31-24)29-14-8-3-9-15-29/h1,4-5,10-11,20,22H,2-3,6-9,12-19H2
InChIKeyUVRJRBGBRFGWNT-UHFFFAOYSA-N
XLogP5.50
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.65
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenyl-5-piperidin-1-ylthiophen-2-yl)-pyrrolidin-1-ylmethanone
CID 20940464
azetidin-1-yl-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24515046
[1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469027
(4-methoxypiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 55480219
(4-methylsulfonyl-1,4-diazepan-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24667301
(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 20889014
(4-benzylpiperazin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24513631
(3,5-dimethylpiperidin-1-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 24538398
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 95589953
[4-(3-methylphenyl)piperazin-1-yl]-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 25398433
N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
N-butyl-N-methyl-1-(5-morpholin-4-yl-4-phenylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 55836288

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone (CID 20940465) is (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone is O=C(c1cc(-c2ccccc2)c(N2CCCCC2)s1)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone?
The InChIKey is UVRJRBGBRFGWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3OS/c30-25(28-18-16-27(17-19-28)22-12-6-2-7-13-22)24-20-23(21-10-4-1-5-11-21)26(31-24)29-14-8-3-9-15-29/h1,4-5,10-11,20,22H,2-3,6-9,12-19H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone has a molecular weight of 437.65 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone is sourced from PubChem (CID 20940465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).