N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C24H23ClN2O2S — CID 55804121

IUPACN-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(Cl)c1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C24H23ClN2O2S/c25-20-11-4-9-18(15-20)22(17-7-2-1-3-8-17)26-23(28)19-10-5-13-27(16-19)24(29)21-12-6-14-30-21/h1-4,6-9,11-12,14-15,19,22H,5,10,13,16H2,(H,26,28)
InChIKeyRPJFTBBAAAYGMA-UHFFFAOYSA-N
MW438.98 g/mol
LogP5.16
Rot. Bonds5

About N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 55804121) has the molecular formula C24H23ClN2O2S and a molecular weight of 438.98 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID55804121
Molecular FormulaC24H23ClN2O2S
Molecular Weight438.98 g/mol
Exact Mass438.12
IUPAC NameN-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(Cl)c1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C24H23ClN2O2S/c25-20-11-4-9-18(15-20)22(17-7-2-1-3-8-17)26-23(28)19-10-5-13-27(16-19)24(29)21-12-6-14-30-21/h1-4,6-9,11-12,14-15,19,22H,5,10,13,16H2,(H,26,28)
InChIKeyRPJFTBBAAAYGMA-UHFFFAOYSA-N
XLogP5.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 55804121) is N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1cccc(Cl)c1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is RPJFTBBAAAYGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O2S/c25-20-11-4-9-18(15-20)22(17-7-2-1-3-8-17)26-23(28)19-10-5-13-27(16-19)24(29)21-12-6-14-30-21/h1-4,6-9,11-12,14-15,19,22H,5,10,13,16H2,(H,26,28).
What are the key properties of N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 438.98 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 55804121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).