1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide

C27H29N3O3 — CID 86847999

IUPAC1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)ccn1
InChIInChI=1S/C27H29N3O3/c1-2-33-24-17-21(15-16-28-24)18-29-27(32)23-13-14-25(31)30(19-20-9-5-3-6-10-20)26(23)22-11-7-4-8-12-22/h3-12,15-17,23,26H,2,13-14,18-19H2,1H3,(H,29,32)
InChIKeyICNNMXTXTMJGLO-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.28
Rot. Bonds8

About 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide

1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 86847999) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID86847999
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCCOc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)ccn1
InChIInChI=1S/C27H29N3O3/c1-2-33-24-17-21(15-16-28-24)18-29-27(32)23-13-14-25(31)30(19-20-9-5-3-6-10-20)26(23)22-11-7-4-8-12-22/h3-12,15-17,23,26H,2,13-14,18-19H2,1H3,(H,29,32)
InChIKeyICNNMXTXTMJGLO-UHFFFAOYSA-N
XLogP4.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
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
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
(2R,3R)-N-benzyl-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxamide
CID 110086831
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-N-(6-imidazol-1-yl-3-pyridinyl)-6-oxo-2-phenylpiperidine-3-carboxamide
CID 112845228
1-[(2-ethoxy-4-pyridinyl)methyl]-3-[(2-phenyloxan-3-yl)methyl]urea
CID 86844010
(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 86847999) is 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide is CCOc1cc(CNC(=O)C2CCC(=O)N(Cc3ccccc3)C2c2ccccc2)ccn1.
What is the InChIKey of 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is ICNNMXTXTMJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-2-33-24-17-21(15-16-28-24)18-29-27(32)23-13-14-25(31)30(19-20-9-5-3-6-10-20)26(23)22-11-7-4-8-12-22/h3-12,15-17,23,26H,2,13-14,18-19H2,1H3,(H,29,32).
What are the key properties of 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 86847999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).