3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide

C17H28N4O — CID 91923909

IUPAC3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Cc2ncc(C)n2CC2CC2)C1
InChIInChI=1S/C17H28N4O/c1-3-18-17(22)20-8-4-5-15(11-20)9-16-19-10-13(2)21(16)12-14-6-7-14/h10,14-15H,3-9,11-12H2,1-2H3,(H,18,22)
InChIKeyNFNPPJOFHYNQIW-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.59
Rot. Bonds5

About 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide

3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 91923909) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide
PubChem CID91923909
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(Cc2ncc(C)n2CC2CC2)C1
InChIInChI=1S/C17H28N4O/c1-3-18-17(22)20-8-4-5-15(11-20)9-16-19-10-13(2)21(16)12-14-6-7-14/h10,14-15H,3-9,11-12H2,1-2H3,(H,18,22)
InChIKeyNFNPPJOFHYNQIW-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)propanamide
CID 72134391
N-isopropyl-4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinecarboxamide
CID 72866493
N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-N'-propylurea
CID 91923975
7-ethyl-N,N,3-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97361095
2-cyclopropyl-N-[[7-(cyclopropylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382111
2-[[(2-cyclopropylacetyl)amino]methyl]-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97382117
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97407000
N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440498
N-cyclopentyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97471138
7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97523269
3-cyclopropyl-N-propan-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxamide
CID 97523394
3-cyclopropyl-N-ethylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxamide
CID 97523395

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide (CID 91923909) is 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(Cc2ncc(C)n2CC2CC2)C1.
What is the InChIKey of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is NFNPPJOFHYNQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-3-18-17(22)20-8-4-5-15(11-20)9-16-19-10-13(2)21(16)12-14-6-7-14/h10,14-15H,3-9,11-12H2,1-2H3,(H,18,22).
What are the key properties of 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide?
3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 91923909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).