4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide

C19H26N4O — CID 90493869

IUPAC4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C19H26N4O/c24-19(21-10-4-7-17-5-2-1-3-6-17)23-12-8-18(9-13-23)15-22-14-11-20-16-22/h1-3,5-6,11,14,16,18H,4,7-10,12-13,15H2,(H,21,24)
InChIKeyYIZJWCAFXZDGDR-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.94
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide

4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide (PubChem CID 90493869) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
PubChem CID90493869
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
SMILESO=C(NCCCc1ccccc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C19H26N4O/c24-19(21-10-4-7-17-5-2-1-3-6-17)23-12-8-18(9-13-23)15-22-14-11-20-16-22/h1-3,5-6,11,14,16,18H,4,7-10,12-13,15H2,(H,21,24)
InChIKeyYIZJWCAFXZDGDR-UHFFFAOYSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
CID 90495373
(3S)-3-(imidazol-1-ylmethyl)-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide
CID 126451945
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606
4-[(2-methylimidazol-1-yl)methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 71781142
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 91763764
(4S)-N-(2-imidazol-1-ylethyl)-4-phenylazepane-1-carboxamide
CID 95186692
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(1-phenylimidazol-4-yl)methanone
CID 167920387
(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
CID 126433574
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide (CID 90493869) is 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide is O=C(NCCCc1ccccc1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide?
The InChIKey is YIZJWCAFXZDGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-19(21-10-4-7-17-5-2-1-3-6-17)23-12-8-18(9-13-23)15-22-14-11-20-16-22/h1-3,5-6,11,14,16,18H,4,7-10,12-13,15H2,(H,21,24).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide?
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 90493869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).