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

N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide
CID 130921417
N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
CID 81257423
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-(1-butylpiperidin-4-yl)-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110911537
N-(3,3-dimethylcyclobutyl)imidazole-1-carboxamide
CID 131092030
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
1-butyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43748354
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933397
N-(4-phenylcyclohexyl)imidazole-1-carboxamide
CID 81257713

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).