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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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).