N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide

C17H19N3O2S — CID 119309311

IUPACN-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCN2)cc1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-16(14-4-1-2-10-18-14)19-12-6-8-13(9-7-12)20-17(22)15-5-3-11-23-15/h3,5-9,11,14,18H,1-2,4,10H2,(H,19,21)(H,20,22)
InChIKeySBDYJHPEHSJBAN-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.08
Rot. Bonds4

About N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide

N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide (PubChem CID 119309311) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
PubChem CID119309311
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CCCCN2)cc1)c1cccs1
InChIInChI=1S/C17H19N3O2S/c21-16(14-4-1-2-10-18-14)19-12-6-8-13(9-7-12)20-17(22)15-5-3-11-23-15/h3,5-9,11,14,18H,1-2,4,10H2,(H,19,21)(H,20,22)
InChIKeySBDYJHPEHSJBAN-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(thiophene-2-carbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119759053
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-[4-(methanesulfonamido)phenyl]piperidine-2-carboxamide
CID 43709925
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-pyridin-4-ylpiperidine-2-carboxamide;dihydrochloride
CID 119827101
N-pyridin-4-ylazocane-2-carboxamide
CID 114240041
N-thiophen-3-ylpiperidine-2-carboxamide
CID 66352407
N-thiophen-2-ylpyrrolidine-2-carboxamide
CID 115159164
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297

Frequently Asked Questions

What is the IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide?
The IUPAC name of N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide (CID 119309311) is N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide?
The canonical SMILES for N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CCCCN2)cc1)c1cccs1.
What is the InChIKey of N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide?
The InChIKey is SBDYJHPEHSJBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16(14-4-1-2-10-18-14)19-12-6-8-13(9-7-12)20-17(22)15-5-3-11-23-15/h3,5-9,11,14,18H,1-2,4,10H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide?
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 119309311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).