N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

C25H31N3O2 — CID 46110134

IUPACN-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(=O)N(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H31N3O2/c1-26(17-20-8-4-2-5-9-20)25(30)22-16-24(29)28(19-22)23-12-14-27(15-13-23)18-21-10-6-3-7-11-21/h2-11,22-23H,12-19H2,1H3
InChIKeyOQSNZQTVEHFDIG-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.16
Rot. Bonds6

About N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide

N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 46110134) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID46110134
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)C1CC(=O)N(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C25H31N3O2/c1-26(17-20-8-4-2-5-9-20)25(30)22-16-24(29)28(19-22)23-12-14-27(15-13-23)18-21-10-6-3-7-11-21/h2-11,22-23H,12-19H2,1H3
InChIKeyOQSNZQTVEHFDIG-UHFFFAOYSA-N
XLogP3.16
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1076471
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
1-cyclopropyl-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775095
(3R)-1-cyclopropyl-N-methyl-5-oxo-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 94181767
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
N-benzyl-1-(2,6-difluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113192236
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-N,1-dimethyl-5-oxopyrrolidine-3-carboxamide
CID 94097512
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 46110134) is N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(Cc1ccccc1)C(=O)C1CC(=O)N(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OQSNZQTVEHFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-26(17-20-8-4-2-5-9-20)25(30)22-16-24(29)28(19-22)23-12-14-27(15-13-23)18-21-10-6-3-7-11-21/h2-11,22-23H,12-19H2,1H3.
What are the key properties of N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(1-benzylpiperidin-4-yl)-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46110134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).