[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C23H29NOS — CID 92760451

IUPAC[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)s2)C1
InChIInChI=1S/C23H29NOS/c1-17-6-5-15-24(16-17)23(25)22-14-13-21(26-22)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h9-14,17-18H,2-8,15-16H2,1H3/t17-/m0/s1
InChIKeyXTQQMKCWAYQYDP-KRWDZBQOSA-N
MW367.56 g/mol
LogP6.33
Rot. Bonds3

About [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 92760451) has the molecular formula C23H29NOS and a molecular weight of 367.56 g/mol. Its IUPAC name is [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID92760451
Molecular FormulaC23H29NOS
Molecular Weight367.56 g/mol
Exact Mass367.20
IUPAC Name[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)s2)C1
InChIInChI=1S/C23H29NOS/c1-17-6-5-15-24(16-17)23(25)22-14-13-21(26-22)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h9-14,17-18H,2-8,15-16H2,1H3/t17-/m0/s1
InChIKeyXTQQMKCWAYQYDP-KRWDZBQOSA-N
XLogP6.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.56
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-fluorophenyl)thiophen-2-yl]-[(4S)-4-methylazepan-1-yl]methanone
CID 97023625
[5-(4-cyclohexylphenyl)-1,2-oxazol-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 92758389
5-(4-cyclohexylphenyl)-N,N-dimethylthiophene-2-carboxamide
CID 46082628
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
(3-aminopiperidin-1-yl)-[5-(4-fluorophenyl)thiophen-2-yl]methanone;hydrochloride
CID 119377231
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
[1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55508135
(3-aminopiperidin-1-yl)-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]methanone;hydrochloride
CID 119381036
[(3S)-3-methylpiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70274257
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
(2R)-4-[5-(4-fluorophenyl)thiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 124704099
3-[1-[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]piperidin-3-yl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136541152

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 92760451) is [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)c2ccc(-c3ccc(C4CCCCC4)cc3)s2)C1.
What is the InChIKey of [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is XTQQMKCWAYQYDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29NOS/c1-17-6-5-15-24(16-17)23(25)22-14-13-21(26-22)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h9-14,17-18H,2-8,15-16H2,1H3/t17-/m0/s1.
What are the key properties of [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 367.56 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexylphenyl)thiophen-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 92760451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).