(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone

C23H21NO2S — CID 42306915

IUPAC(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C23H21NO2S/c25-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)20-7-4-13-24(15-20)23(26)21-12-14-27-16-21/h1-3,5-6,8-12,14,16,20H,4,7,13,15H2/t20-/m1/s1
InChIKeyABGJUAGELMXALQ-HXUWFJFHSA-N
MW375.49 g/mol
LogP5.15
Rot. Bonds4

About (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone

(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 42306915) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
PubChem CID42306915
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C23H21NO2S/c25-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)20-7-4-13-24(15-20)23(26)21-12-14-27-16-21/h1-3,5-6,8-12,14,16,20H,4,7,13,15H2/t20-/m1/s1
InChIKeyABGJUAGELMXALQ-HXUWFJFHSA-N
XLogP5.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(thiophene-3-carbonyl)piperidine-3-carboxylic acid
CID 30044914
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
[1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45205195
1-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]but-2-yn-1-one
CID 25485299
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 42454203
(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383194
(3S)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383197
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
4-(1-benzoylpiperidine-3-carbonyl)benzonitrile
CID 142430135
ethyl (3S)-1-(thiophene-3-carbonyl)piperidine-3-carboxylate
CID 81344391
[(3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 25488367
3-methylsulfanyl-1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]propan-1-one
CID 42309527

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone (CID 42306915) is (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is ABGJUAGELMXALQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21NO2S/c25-22(19-10-8-18(9-11-19)17-5-2-1-3-6-17)20-7-4-13-24(15-20)23(26)21-12-14-27-16-21/h1-3,5-6,8-12,14,16,20H,4,7,13,15H2/t20-/m1/s1.
What are the key properties of (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone?
(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 375.49 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 42306915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).