1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

C23H26N4O3 — CID 108552482

IUPAC1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccn2)CC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H26N4O3/c28-21-14-18(16-27(21)15-17-6-2-1-3-7-17)22(29)25-19-9-12-26(13-10-19)23(30)20-8-4-5-11-24-20/h1-8,11,18-19H,9-10,12-16H2,(H,25,29)
InChIKeyHBUFZKBHBVMNPV-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.85
Rot. Bonds5

About 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide

1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (PubChem CID 108552482) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
PubChem CID108552482
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccn2)CC1)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H26N4O3/c28-21-14-18(16-27(21)15-17-6-2-1-3-7-17)22(29)25-19-9-12-26(13-10-19)23(30)20-8-4-5-11-24-20/h1-8,11,18-19H,9-10,12-16H2,(H,25,29)
InChIKeyHBUFZKBHBVMNPV-UHFFFAOYSA-N
XLogP1.85
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552426
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557384
N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010
butyl 4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
CID 108560646
N-(1-benzylpiperidin-4-yl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 53181864
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550808
5-oxo-N-[4-(piperidine-1-carbonyl)cyclohexyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 169418251
N-(1-benzylpiperidin-4-yl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800210
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
(3R)-1-benzyl-N-[(1S,2S)-2-methylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 51671621

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide (CID 108552482) is 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccccn2)CC1)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
The InChIKey is HBUFZKBHBVMNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-21-14-18(16-27(21)15-17-6-2-1-3-7-17)22(29)25-19-9-12-26(13-10-19)23(30)20-8-4-5-11-24-20/h1-8,11,18-19H,9-10,12-16H2,(H,25,29).
What are the key properties of 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide?
1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-oxo-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 108552482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).