1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide

C21H28N4O — CID 50960859

IUPAC1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
SMILESCC(C)=Cc1c(-c2ccccc2)ncn1CCN1CCCC(C(N)=O)C1
InChIInChI=1S/C21H28N4O/c1-16(2)13-19-20(17-7-4-3-5-8-17)23-15-25(19)12-11-24-10-6-9-18(14-24)21(22)26/h3-5,7-8,13,15,18H,6,9-12,14H2,1-2H3,(H2,22,26)
InChIKeyVPHLWGIYPZSUTF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.17
Rot. Bonds6

About 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide

1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide (PubChem CID 50960859) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
PubChem CID50960859
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide
SMILESCC(C)=Cc1c(-c2ccccc2)ncn1CCN1CCCC(C(N)=O)C1
InChIInChI=1S/C21H28N4O/c1-16(2)13-19-20(17-7-4-3-5-8-17)23-15-25(19)12-11-24-10-6-9-18(14-24)21(22)26/h3-5,7-8,13,15,18H,6,9-12,14H2,1-2H3,(H2,22,26)
InChIKeyVPHLWGIYPZSUTF-UHFFFAOYSA-N
XLogP3.17
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[3-(5-butyl-4-phenylimidazol-1-yl)propyl]piperidine-3-carboxamide
CID 95119867
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
[(3R)-1-[2-[5-[(E)-but-2-en-2-yl]-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95132932
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 146086934
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163079
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide (CID 50960859) is 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide is CC(C)=Cc1c(-c2ccccc2)ncn1CCN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is VPHLWGIYPZSUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16(2)13-19-20(17-7-4-3-5-8-17)23-15-25(19)12-11-24-10-6-9-18(14-24)21(22)26/h3-5,7-8,13,15,18H,6,9-12,14H2,1-2H3,(H2,22,26).
What are the key properties of 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide?
1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(2-methylprop-1-enyl)-4-phenylimidazol-1-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 50960859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).