1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide

C17H30N4O — CID 155872498

IUPAC1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
SMILESCCC(CC)CN1CCC(C(=O)N(C)C)(n2ccnc2)CC1
InChIInChI=1S/C17H30N4O/c1-5-15(6-2)13-20-10-7-17(8-11-20,16(22)19(3)4)21-12-9-18-14-21/h9,12,14-15H,5-8,10-11,13H2,1-4H3
InChIKeyNGUMOZUEZZJHQS-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.20
Rot. Bonds6

About 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide

1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 155872498) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
PubChem CID155872498
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
SMILESCCC(CC)CN1CCC(C(=O)N(C)C)(n2ccnc2)CC1
InChIInChI=1S/C17H30N4O/c1-5-15(6-2)13-20-10-7-17(8-11-20,16(22)19(3)4)21-12-9-18-14-21/h9,12,14-15H,5-8,10-11,13H2,1-4H3
InChIKeyNGUMOZUEZZJHQS-UHFFFAOYSA-N
XLogP2.20
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155877437
4-imidazol-1-yl-N,N-dimethyl-1-propylsulfonylpiperidine-4-carboxamide
CID 155876535
1-(furan-2-ylmethyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874103
4-imidazol-1-yl-N,N-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 155871375
1-[(2-chlorophenyl)methyl]-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide;formic acid
CID 171695756
1-(4-fluorophenyl)sulfonyl-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874322
3-imidazol-1-yl-N,N-dimethyl-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-3-carboxamide
CID 155878712
1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56889081
4-imidazol-1-yl-1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidine-4-carboxylic acid
CID 95872164
1-imidazol-1-ylcyclooctane-1-carboxylic acid
CID 82235123
azetidin-1-yl-(1-ethylsulfonyl-4-imidazol-1-ylpiperidin-4-yl)methanone;formic acid
CID 155873466
1-[(3-chloro-5-fluorophenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56894489

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide (CID 155872498) is 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide is CCC(CC)CN1CCC(C(=O)N(C)C)(n2ccnc2)CC1.
What is the InChIKey of 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is NGUMOZUEZZJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-15(6-2)13-20-10-7-17(8-11-20,16(22)19(3)4)21-12-9-18-14-21/h9,12,14-15H,5-8,10-11,13H2,1-4H3.
What are the key properties of 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide?
1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 155872498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).