N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide

C14H24N4O — CID 106739883

IUPACN-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCCCCn2ccnc2)CCN1
InChIInChI=1S/C14H24N4O/c1-12-10-13(4-6-16-12)14(19)17-5-2-3-8-18-9-7-15-11-18/h7,9,11-13,16H,2-6,8,10H2,1H3,(H,17,19)
InChIKeyKPVCJDGESHEBFS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.17
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide

N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide (PubChem CID 106739883) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide
PubChem CID106739883
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)NCCCCn2ccnc2)CCN1
InChIInChI=1S/C14H24N4O/c1-12-10-13(4-6-16-12)14(19)17-5-2-3-8-18-9-7-15-11-18/h7,9,11-13,16H,2-6,8,10H2,1H3,(H,17,19)
InChIKeyKPVCJDGESHEBFS-UHFFFAOYSA-N
XLogP1.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
4-amino-N-(3-imidazol-1-ylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628324
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120632718
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
(2S,4S)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]piperidine-4-carboxamide
CID 120632096
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
N-(3-imidazol-1-ylpropyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140515752

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide (CID 106739883) is N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)NCCCCn2ccnc2)CCN1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is KPVCJDGESHEBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12-10-13(4-6-16-12)14(19)17-5-2-3-8-18-9-7-15-11-18/h7,9,11-13,16H,2-6,8,10H2,1H3,(H,17,19).
What are the key properties of N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide?
N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106739883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).