N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride

C15H24ClN3O2S — CID 119495524

IUPACN-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCCN1C(=O)c1cccs1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11(16)7-8-17-14(19)12-5-2-3-9-18(12)15(20)13-6-4-10-21-13;/h4,6,10-12H,2-3,5,7-9,16H2,1H3,(H,17,19);1H
InChIKeyIGTMHLFIWGLUGI-UHFFFAOYSA-N
MW345.90 g/mol
LogP2.02
Rot. Bonds5

About N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride

N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119495524) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119495524
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)C1CCCCN1C(=O)c1cccs1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-11(16)7-8-17-14(19)12-5-2-3-9-18(12)15(20)13-6-4-10-21-13;/h4,6,10-12H,2-3,5,7-9,16H2,1H3,(H,17,19);1H
InChIKeyIGTMHLFIWGLUGI-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-(3-aminobutyl)-1-benzoylpyrrolidine-2-carboxamide
CID 119498752
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875306
N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876458
N-(2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78861390
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86919860
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844704

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride (CID 119495524) is N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride is CC(N)CCNC(=O)C1CCCCN1C(=O)c1cccs1.Cl.
What is the InChIKey of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is IGTMHLFIWGLUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-11(16)7-8-17-14(19)12-5-2-3-9-18(12)15(20)13-6-4-10-21-13;/h4,6,10-12H,2-3,5,7-9,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119495524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).