N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide

C12H20N4O — CID 43695432

IUPACN-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCCNC1
InChIInChI=1S/C12H20N4O/c1-10(8-16-6-5-14-9-16)15-12(17)11-3-2-4-13-7-11/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyUUBZKABRNUJYIQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.39
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide (PubChem CID 43695432) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
PubChem CID43695432
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1CCCNC1
InChIInChI=1S/C12H20N4O/c1-10(8-16-6-5-14-9-16)15-12(17)11-3-2-4-13-7-11/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyUUBZKABRNUJYIQ-UHFFFAOYSA-N
XLogP0.39
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81044808
N-(1-imidazol-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 43695426
N-(1-imidazol-1-ylpropan-2-yl)morpholine-2-carboxamide;dihydrochloride
CID 119856885
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954138
N-(1-imidazol-1-ylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 61372754
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
N-(1-imidazol-1-ylpropan-2-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946703
(3R)-N-[(2R)-1-aminopropan-2-yl]piperidine-3-carboxamide
CID 130710975
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]piperidine-3-carboxamide
CID 119863481

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide (CID 43695432) is N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide is CC(Cn1ccnc1)NC(=O)C1CCCNC1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide?
The InChIKey is UUBZKABRNUJYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(8-16-6-5-14-9-16)15-12(17)11-3-2-4-13-7-11/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43695432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).