N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C17H26N2O2S — CID 78853291

IUPACN-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(C)CCCNC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C17H26N2O2S/c1-13(2)7-5-10-18-16(20)14-8-3-4-11-19(14)17(21)15-9-6-12-22-15/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyKRZKNCAHEZONIP-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.30
Rot. Bonds6

About N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78853291) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78853291
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(C)CCCNC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C17H26N2O2S/c1-13(2)7-5-10-18-16(20)14-8-3-4-11-19(14)17(21)15-9-6-12-22-15/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,18,20)
InChIKeyKRZKNCAHEZONIP-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119499235
N-[4-(diethylamino)-4-oxobutyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875306
(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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78853291) is N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CC(C)CCCNC(=O)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is KRZKNCAHEZONIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(2)7-5-10-18-16(20)14-8-3-4-11-19(14)17(21)15-9-6-12-22-15/h6,9,12-14H,3-5,7-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78853291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).