1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one

C18H25N3O2 — CID 119561502

IUPAC1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-16-7-9-20(10-8-16)18(23)15-11-17(22)21(13-15)12-14-5-3-2-4-6-14/h2-6,15-16,19H,7-13H2,1H3
InChIKeyMFDSLRLYONCXET-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.25
Rot. Bonds4

About 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one

1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 119561502) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID119561502
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCNC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-16-7-9-20(10-8-16)18(23)15-11-17(22)21(13-15)12-14-5-3-2-4-6-14/h2-6,15-16,19H,7-13H2,1H3
InChIKeyMFDSLRLYONCXET-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550808
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557384
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922031
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one (CID 119561502) is 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one is CNC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MFDSLRLYONCXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-16-7-9-20(10-8-16)18(23)15-11-17(22)21(13-15)12-14-5-3-2-4-6-14/h2-6,15-16,19H,7-13H2,1H3.
What are the key properties of 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 119561502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).