N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride

C13H20ClN3O2S — CID 119428252

IUPACN-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1cccs1)NC1CCCNC1
InChIInChI=1S/C13H19N3O2S.ClH/c17-12(16-10-3-1-6-14-9-10)5-7-15-13(18)11-4-2-8-19-11;/h2,4,8,10,14H,1,3,5-7,9H2,(H,15,18)(H,16,17);1H
InChIKeyWDJMUTFWLCAWPM-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.16
Rot. Bonds5

About N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride

N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119428252) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119428252
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC NameN-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)c1cccs1)NC1CCCNC1
InChIInChI=1S/C13H19N3O2S.ClH/c17-12(16-10-3-1-6-14-9-10)5-7-15-13(18)11-4-2-8-19-11;/h2,4,8,10,14H,1,3,5-7,9H2,(H,15,18)(H,16,17);1H
InChIKeyWDJMUTFWLCAWPM-UHFFFAOYSA-N
XLogP1.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 120598256
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
CID 119426239
N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 63622870
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119450150
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841
N-(pyrrolidin-3-ylmethyl)thiophene-2-carboxamide
CID 71645410
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 39948332
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride (CID 119428252) is N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)c1cccs1)NC1CCCNC1.
What is the InChIKey of N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is WDJMUTFWLCAWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S.ClH/c17-12(16-10-3-1-6-14-9-10)5-7-15-13(18)11-4-2-8-19-11;/h2,4,8,10,14H,1,3,5-7,9H2,(H,15,18)(H,16,17);1H.
What are the key properties of N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride?
N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119428252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).