1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C21H28N4O3 — CID 24610385

IUPAC1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H28N4O3/c26-19-5-4-12-25(19)18-8-6-17(7-9-18)20(27)22-13-15-24(16-14-22)21(28)23-10-2-1-3-11-23/h6-9H,1-5,10-16H2
InChIKeyPFYVITYFAGVRJE-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.18
Rot. Bonds2

About 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 24610385) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID24610385
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C21H28N4O3/c26-19-5-4-12-25(19)18-8-6-17(7-9-18)20(27)22-13-15-24(16-14-22)21(28)23-10-2-1-3-11-23/h6-9H,1-5,10-16H2
InChIKeyPFYVITYFAGVRJE-UHFFFAOYSA-N
XLogP2.18
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 27744247
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7446641
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
CID 29184328
1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 43038526
1-[4-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 46564409
(1R,5S)-3-[4-(2-oxopyrrolidin-1-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135109292

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 24610385) is 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)N1CCN(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is PFYVITYFAGVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19-5-4-12-25(19)18-8-6-17(7-9-18)20(27)22-13-15-24(16-14-22)21(28)23-10-2-1-3-11-23/h6-9H,1-5,10-16H2.
What are the key properties of 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 384.48 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 24610385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).