N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide

C13H22N4O — CID 81257900

IUPACN-(1-butylpiperidin-4-yl)imidazole-1-carboxamide
SMILESCCCCN1CCC(NC(=O)n2ccnc2)CC1
InChIInChI=1S/C13H22N4O/c1-2-3-7-16-8-4-12(5-9-16)15-13(18)17-10-6-14-11-17/h6,10-12H,2-5,7-9H2,1H3,(H,15,18)
InChIKeyNPIUTNHGMGEQDB-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.71
Rot. Bonds4

About N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide

N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide (PubChem CID 81257900) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)imidazole-1-carboxamide
PubChem CID81257900
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1-butylpiperidin-4-yl)imidazole-1-carboxamide
SMILESCCCCN1CCC(NC(=O)n2ccnc2)CC1
InChIInChI=1S/C13H22N4O/c1-2-3-7-16-8-4-12(5-9-16)15-13(18)17-10-6-14-11-17/h6,10-12H,2-5,7-9H2,1H3,(H,15,18)
InChIKeyNPIUTNHGMGEQDB-UHFFFAOYSA-N
XLogP1.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-1-yl)piperidine
CID 50986280
N-butyl-N'-[3-(1H-imidazol-1-yl)propyl]ethanediamide
CID 565508
1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
N'-cyclohexyl-N-(3-imidazol-1-ylpropyl)oxamide
CID 3122124
Imidazol-1-yl(piperidin-1-yl)methanone
CID 949902
3-(2-ethyl-1H-imidazol-1-yl)piperidine
CID 54592639
4-(1H-imidazol-1-yl)piperidine
CID 15789922
1-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 2969946
3-[2-(propan-2-yl)-1H-imidazol-1-yl]piperidine
CID 54592640
N-butyl-1H-imidazole-1-carboxamide
CID 12394419
1-N-(dodecylaminocarbonyl)imidazole
CID 18328494
N-octyl-1H-imidazole-1-carboxamide
CID 18328498

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide (CID 81257900) is N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide is CCCCN1CCC(NC(=O)n2ccnc2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide?
The InChIKey is NPIUTNHGMGEQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-7-16-8-4-12(5-9-16)15-13(18)17-10-6-14-11-17/h6,10-12H,2-5,7-9H2,1H3,(H,15,18).
What are the key properties of N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide?
N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide is sourced from PubChem (CID 81257900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).