1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide

C27H25N5O2 — CID 112845228

IUPAC1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H25N5O2/c33-25-14-12-23(27(34)30-22-11-13-24(29-17-22)31-16-15-28-19-31)26(21-9-5-2-6-10-21)32(25)18-20-7-3-1-4-8-20/h1-11,13,15-17,19,23,26H,12,14,18H2,(H,30,34)
InChIKeyDHWGXMZKZAKVDJ-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.39
Rot. Bonds6

About 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide

1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 112845228) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID112845228
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H25N5O2/c33-25-14-12-23(27(34)30-22-11-13-24(29-17-22)31-16-15-28-19-31)26(21-9-5-2-6-10-21)32(25)18-20-7-3-1-4-8-20/h1-11,13,15-17,19,23,26H,12,14,18H2,(H,30,34)
InChIKeyDHWGXMZKZAKVDJ-UHFFFAOYSA-N
XLogP4.39
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822564
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86847999
N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632262
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
N-(6-imidazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 63005414
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide (CID 112845228) is 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)C1CCC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is DHWGXMZKZAKVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c33-25-14-12-23(27(34)30-22-11-13-24(29-17-22)31-16-15-28-19-31)26(21-9-5-2-6-10-21)32(25)18-20-7-3-1-4-8-20/h1-11,13,15-17,19,23,26H,12,14,18H2,(H,30,34).
What are the key properties of 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 112845228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).