5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride

C17H21ClN4O2S — CID 119387776

IUPAC5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCNCC2)s1
InChIInChI=1S/C17H20N4O2S.ClH/c22-16(19-13-8-10-18-11-9-13)14-6-7-15(24-14)21-17(23)20-12-4-2-1-3-5-12;/h1-7,13,18H,8-11H2,(H,19,22)(H2,20,21,23);1H
InChIKeyRXAPQSYUYXEMSK-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.30
Rot. Bonds4

About 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride

5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride (PubChem CID 119387776) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
PubChem CID119387776
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCNCC2)s1
InChIInChI=1S/C17H20N4O2S.ClH/c22-16(19-13-8-10-18-11-9-13)14-6-7-15(24-14)21-17(23)20-12-4-2-1-3-5-12;/h1-7,13,18H,8-11H2,(H,19,22)(H2,20,21,23);1H
InChIKeyRXAPQSYUYXEMSK-UHFFFAOYSA-N
XLogP3.30
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
5-(phenylcarbamoylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 78885519
1-phenyl-3-[5-(piperazine-1-carbonyl)thiophen-2-yl]urea
CID 119401684
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 127300730
N-(azepan-4-yl)-5-chlorothiophene-2-carboxamide
CID 105058867
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553
1-[5-(4-aminopiperidine-1-carbonyl)thiophen-2-yl]-3-phenylurea
CID 119374573
5-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]thiophene-2-carboxamide
CID 78849767
N-(2-phenoxyethyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846484
1-[5-(2,3-dimethylpiperazine-1-carbonyl)thiophen-2-yl]-3-phenylurea;hydrochloride
CID 120573021
N-(2-methylsulfanylphenyl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78846361
1-[5-[[(2-hydroxy-2-methylpropanoyl)amino]carbamoyl]thiophen-2-yl]-3-phenylurea
CID 86806417

Frequently Asked Questions

What is the IUPAC name of 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride (CID 119387776) is 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccccc1)Nc1ccc(C(=O)NC2CCNCC2)s1.
What is the InChIKey of 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
The InChIKey is RXAPQSYUYXEMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S.ClH/c22-16(19-13-8-10-18-11-9-13)14-6-7-15(24-14)21-17(23)20-12-4-2-1-3-5-12;/h1-7,13,18H,8-11H2,(H,19,22)(H2,20,21,23);1H.
What are the key properties of 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride?
5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride has a molecular weight of 380.90 g/mol, XLogP of 3.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylcarbamoylamino)-N-piperidin-4-ylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119387776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).