N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide

C13H22N4O — CID 132649483

IUPACN-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCCn2ccnc2)C1
InChIInChI=1S/C13H22N4O/c1-16-7-2-4-12(10-16)13(18)15-5-3-8-17-9-6-14-11-17/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,15,18)
InChIKeyKWCFINWZDNNTQR-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.73
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide

N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide (PubChem CID 132649483) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
PubChem CID132649483
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide
SMILESCN1CCCC(C(=O)NCCCn2ccnc2)C1
InChIInChI=1S/C13H22N4O/c1-16-7-2-4-12(10-16)13(18)15-5-3-8-17-9-6-14-11-17/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,15,18)
InChIKeyKWCFINWZDNNTQR-UHFFFAOYSA-N
XLogP0.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(3-imidazol-1-ylpropyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 27026398
N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925980
N-(3-imidazol-1-ylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 134057571
N-(4-imidazol-1-ylbutyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55980807
N-(3-imidazol-1-ylpropyl)-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 46959580
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
1-[(3-bromophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
CID 43925987
(3S)-1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94617423
(3R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95552903
N-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 43112147

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide (CID 132649483) is N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide is CN1CCCC(C(=O)NCCCn2ccnc2)C1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide?
The InChIKey is KWCFINWZDNNTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-7-2-4-12(10-16)13(18)15-5-3-8-17-9-6-14-11-17/h6,9,11-12H,2-5,7-8,10H2,1H3,(H,15,18).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 132649483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).