N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide

C17H19N3O2S — CID 119387878

IUPACN-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCNCC1)c1ccsc1
InChIInChI=1S/C17H19N3O2S/c21-16(12-7-10-23-11-12)20-15-4-2-1-3-14(15)17(22)19-13-5-8-18-9-6-13/h1-4,7,10-11,13,18H,5-6,8-9H2,(H,19,22)(H,20,21)
InChIKeyHORONLNPZUUTOM-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.48
Rot. Bonds4

About N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide

N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 119387878) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID119387878
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCNCC1)c1ccsc1
InChIInChI=1S/C17H19N3O2S/c21-16(12-7-10-23-11-12)20-15-4-2-1-3-14(15)17(22)19-13-5-8-18-9-6-13/h1-4,7,10-11,13,18H,5-6,8-9H2,(H,19,22)(H,20,21)
InChIKeyHORONLNPZUUTOM-UHFFFAOYSA-N
XLogP2.48
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzamido-N-piperidin-4-ylbenzamide
CID 119388442
2-[(3-methylbenzoyl)amino]-N-piperidin-4-ylbenzamide
CID 119386927
N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 55460514
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 71645364
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 17434299
2-(ethylsulfonylamino)-N-piperidin-4-ylbenzamide
CID 119389714
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
2-(2,2-dimethylpropanoylamino)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453622

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 119387878) is N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NC1CCNCC1)c1ccsc1.
What is the InChIKey of N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is HORONLNPZUUTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(12-7-10-23-11-12)20-15-4-2-1-3-14(15)17(22)19-13-5-8-18-9-6-13/h1-4,7,10-11,13,18H,5-6,8-9H2,(H,19,22)(H,20,21).
What are the key properties of N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 119387878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).