1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide

C24H30ClN3O2S — CID 72705782

IUPAC1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C24H30ClN3O2S/c25-22-10-9-21(31-22)24(30)27-20-8-4-5-17(15-20)16-28-13-11-18(12-14-28)23(29)26-19-6-2-1-3-7-19/h4-5,8-10,15,18-19H,1-3,6-7,11-14,16H2,(H,26,29)(H,27,30)
InChIKeyXFRBPLHZOIAUGT-UHFFFAOYSA-N
MW460.04 g/mol
LogP5.31
Rot. Bonds6

About 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide

1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide (PubChem CID 72705782) has the molecular formula C24H30ClN3O2S and a molecular weight of 460.04 g/mol. Its IUPAC name is 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
PubChem CID72705782
Molecular FormulaC24H30ClN3O2S
Molecular Weight460.04 g/mol
Exact Mass459.17
IUPAC Name1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccc(Cl)s1
InChIInChI=1S/C24H30ClN3O2S/c25-22-10-9-21(31-22)24(30)27-20-8-4-5-17(15-20)16-28-13-11-18(12-14-28)23(29)26-19-6-2-1-3-7-19/h4-5,8-10,15,18-19H,1-3,6-7,11-14,16H2,(H,26,29)(H,27,30)
InChIKeyXFRBPLHZOIAUGT-UHFFFAOYSA-N
XLogP5.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.04
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9954980
5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
5-(2-Chlorophenyl)-N-[5-(Cyclopropylcarbamoyl)-2-Methylphenyl]thiophene-2-Carboxamide
CID 24985573
N-((3R,4S)-1-acetyl-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)-5-chlorothiophene-2-carboxamide
CID 44434818
Thiophene-2-carboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 10596978
N-[4-(2-chlorophenyl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 47080184
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 71714379
N-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155521711
N-[4-[4-(3,5-dichlorophenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155561861
1-(Thiophene-2-carbonyl)-piperidine-4-carboxylic acid (2-ethyl-phenyl)-amide
CID 1075536
N-(4-chlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075548
N-[3-(diethylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9266297

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide?
The IUPAC name of 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide (CID 72705782) is 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide is O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)c1ccc(Cl)s1.
What is the InChIKey of 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide?
The InChIKey is XFRBPLHZOIAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2S/c25-22-10-9-21(31-22)24(30)27-20-8-4-5-17(15-20)16-28-13-11-18(12-14-28)23(29)26-19-6-2-1-3-7-19/h4-5,8-10,15,18-19H,1-3,6-7,11-14,16H2,(H,26,29)(H,27,30).
What are the key properties of 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide?
1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide has a molecular weight of 460.04 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(5-chlorothiophene-2-carbonyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide is sourced from PubChem (CID 72705782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).