N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide

C14H24N4O — CID 60547179

IUPACN-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCCn2ccnc2)C1
InChIInChI=1S/C14H24N4O/c1-13-5-4-9-18(11-13)14(19)16-6-2-3-8-17-10-7-15-12-17/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,16,19)
InChIKeyXVPXUUOWGYCSQQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds5

About N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide

N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide (PubChem CID 60547179) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
PubChem CID60547179
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCCCn2ccnc2)C1
InChIInChI=1S/C14H24N4O/c1-13-5-4-9-18(11-13)14(19)16-6-2-3-8-17-10-7-15-12-17/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,16,19)
InChIKeyXVPXUUOWGYCSQQ-UHFFFAOYSA-N
XLogP2.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
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-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
CID 132649483
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
1-amino-N-(4-imidazol-1-ylbutyl)-3-methylcyclohexane-1-carboxamide
CID 64552335
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
1-(3-imidazol-1-ylpropylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123353
(2R,3R)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(4-methylphenyl)piperidine-1-carboxamide
CID 97005705
(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
3-methyl-N-(3-methylsulfonylpropyl)piperidine-1-carboxamide
CID 113234945
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
(4S)-N-(2-imidazol-1-ylethyl)-4-phenylazepane-1-carboxamide
CID 95186692
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
CID 79159564
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide (CID 60547179) is N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCCCCn2ccnc2)C1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is XVPXUUOWGYCSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-13-5-4-9-18(11-13)14(19)16-6-2-3-8-17-10-7-15-12-17/h7,10,12-13H,2-6,8-9,11H2,1H3,(H,16,19).
What are the key properties of N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide?
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60547179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).