1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

C20H28N4O2 — CID 120997845

IUPAC1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(N3CCNCC3)C2)CN1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c25-19-12-17(14-24(19)13-16-4-2-1-3-5-16)20(26)23-9-6-18(15-23)22-10-7-21-8-11-22/h1-5,17-18,21H,6-15H2
InChIKeyNYBOHPAWJMAZMI-UHFFFAOYSA-N
MW356.47 g/mol
LogP0.54
Rot. Bonds4

About 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one

1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 120997845) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID120997845
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCC(N3CCNCC3)C2)CN1Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c25-19-12-17(14-24(19)13-16-4-2-1-3-5-16)20(26)23-9-6-18(15-23)22-10-7-21-8-11-22/h1-5,17-18,21H,6-15H2
InChIKeyNYBOHPAWJMAZMI-UHFFFAOYSA-N
XLogP0.54
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-(4-ethylphenyl)-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120995208
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
(4-phenylcyclohexyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994311
4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239066
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550808
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 120997845) is 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCC(N3CCNCC3)C2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is NYBOHPAWJMAZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-19-12-17(14-24(19)13-16-4-2-1-3-5-16)20(26)23-9-6-18(15-23)22-10-7-21-8-11-22/h1-5,17-18,21H,6-15H2.
What are the key properties of 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 120997845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).