N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide

C24H30N4O2 — CID 19872083

IUPACN-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide
SMILESO=C1CC(CN(Cc2ccccc2)C(=O)N2CCNCC2)CN1Cc1ccccc1
InChIInChI=1S/C24H30N4O2/c29-23-15-22(18-27(23)16-20-7-3-1-4-8-20)19-28(17-21-9-5-2-6-10-21)24(30)26-13-11-25-12-14-26/h1-10,22,25H,11-19H2
InChIKeyHZEGFHXJSVQICF-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.56
Rot. Bonds6

About N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide

N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 19872083) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide
PubChem CID19872083
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide
SMILESO=C1CC(CN(Cc2ccccc2)C(=O)N2CCNCC2)CN1Cc1ccccc1
InChIInChI=1S/C24H30N4O2/c29-23-15-22(18-27(23)16-20-7-3-1-4-8-20)19-28(17-21-9-5-2-6-10-21)24(30)26-13-11-25-12-14-26/h1-10,22,25H,11-19H2
InChIKeyHZEGFHXJSVQICF-UHFFFAOYSA-N
XLogP2.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(bromomethyl)pyrrolidin-2-one
CID 46703995
1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 120997845
2-(1-benzyl-5-oxopyrrolidin-3-yl)-N-methylacetamide
CID 139763375
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N,1-dibenzyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 75981218
4-(aminomethyl)-1-benzylpyrrolidin-2-one;2,3-dihydroxybutanedioic acid
CID 14129465
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390
N-benzyl-1-[(4-fluorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113183539
1-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]pyridin-2-one
CID 135017500
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
2-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-1,1,3,3-tetramethylguanidine
CID 99850668
(1-benzyl-5-oxopyrrolidin-3-yl)methyl methanesulfonate
CID 71623233

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide (CID 19872083) is N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide is O=C1CC(CN(Cc2ccccc2)C(=O)N2CCNCC2)CN1Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is HZEGFHXJSVQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-23-15-22(18-27(23)16-20-7-3-1-4-8-20)19-28(17-21-9-5-2-6-10-21)24(30)26-13-11-25-12-14-26/h1-10,22,25H,11-19H2.
What are the key properties of N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide?
N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 19872083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).