N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C15H22N2O3S — CID 111433754

IUPACN-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(O)CCNC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-11(18)7-8-16-14(19)12-5-2-3-9-17(12)15(20)13-6-4-10-21-13/h4,6,10-12,18H,2-3,5,7-9H2,1H3,(H,16,19)
InChIKeyJAHGRHRYVVXRBU-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.63
Rot. Bonds5

About N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 111433754) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID111433754
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(O)CCNC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-11(18)7-8-16-14(19)12-5-2-3-9-17(12)15(20)13-6-4-10-21-13/h4,6,10-12,18H,2-3,5,7-9H2,1H3,(H,16,19)
InChIKeyJAHGRHRYVVXRBU-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
N-(2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78861390
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
N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78892566
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742
N-[2-(4-ethylpiperazin-1-yl)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876347

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 111433754) is N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CC(O)CCNC(=O)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is JAHGRHRYVVXRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(18)7-8-16-14(19)12-5-2-3-9-17(12)15(20)13-6-4-10-21-13/h4,6,10-12,18H,2-3,5,7-9H2,1H3,(H,16,19).
What are the key properties of N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 111433754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).