N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide

C19H26N4O — CID 72874428

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H26N4O/c1-22-12-5-4-7-17(22)9-10-19(24)21-14-16-6-2-3-8-18(16)23-13-11-20-15-23/h2-3,6,8,11,13,15,17H,4-5,7,9-10,12,14H2,1H3,(H,21,24)
InChIKeyZOVITEIWTPXHOK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.75
Rot. Bonds6

About N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide

N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide (PubChem CID 72874428) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
PubChem CID72874428
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
SMILESCN1CCCCC1CCC(=O)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C19H26N4O/c1-22-12-5-4-7-17(22)9-10-19(24)21-14-16-6-2-3-8-18(16)23-13-11-20-15-23/h2-3,6,8,11,13,15,17H,4-5,7,9-10,12,14H2,1H3,(H,21,24)
InChIKeyZOVITEIWTPXHOK-UHFFFAOYSA-N
XLogP2.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
N-cyclohexyl-3-[(2-imidazol-1-ylphenyl)methylcarbamoylamino]propanamide
CID 136578959
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 75442044
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
1-[2-(hydroxymethyl)cyclohexyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 111630738

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide (CID 72874428) is N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide is CN1CCCCC1CCC(=O)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
The InChIKey is ZOVITEIWTPXHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-22-12-5-4-7-17(22)9-10-19(24)21-14-16-6-2-3-8-18(16)23-13-11-20-15-23/h2-3,6,8,11,13,15,17H,4-5,7,9-10,12,14H2,1H3,(H,21,24).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide?
N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide is sourced from PubChem (CID 72874428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).