1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one

C17H29N3O3 — CID 131949700

IUPAC1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H29N3O3/c21-16-3-1-7-19(16)8-2-4-17(22)20-11-9-18(10-12-20)15-5-13-23-14-6-15/h15H,1-14H2
InChIKeyQPQXCJXDMDIDON-UHFFFAOYSA-N
MW323.44 g/mol
LogP0.71
Rot. Bonds5

About 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one

1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one (PubChem CID 131949700) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one
PubChem CID131949700
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Name1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCN(C2CCOCC2)CC1
InChIInChI=1S/C17H29N3O3/c21-16-3-1-7-19(16)8-2-4-17(22)20-11-9-18(10-12-20)15-5-13-23-14-6-15/h15H,1-14H2
InChIKeyQPQXCJXDMDIDON-UHFFFAOYSA-N
XLogP0.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]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-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
CID 95726224
1-methyl-4-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperazine-2-carboxylic acid
CID 56702528
(3aR,7aR)-3-[1-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-one
CID 24882985
N-[2-[(3S)-oxolan-3-yl]ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 125448347
4-amino-1-[4-(oxan-4-yl)piperazin-1-yl]pentan-1-one
CID 120565746
1-[4-(4-hydroxy-3,3,4-trimethylpiperidin-1-yl)-4-oxobutyl]pyrrolidin-2-one
CID 156603888
(3aS,7aS)-1-methyl-3-[1-[1-[3-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]piperidin-4-yl]-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one;(3aS,7aS)-1-methyl-3-(1-piperidin-4-ylpiperidin-4-yl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-2-one
CID 159465604
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 131933898
1-(4-cyclohexyl-1,4-diazepan-1-yl)-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 25379471
2-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 134020573
1-[4-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95800209

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one (CID 131949700) is 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one is O=C1CCCN1CCCC(=O)N1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
The InChIKey is QPQXCJXDMDIDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c21-16-3-1-7-19(16)8-2-4-17(22)20-11-9-18(10-12-20)15-5-13-23-14-6-15/h15H,1-14H2.
What are the key properties of 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one?
1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one has a molecular weight of 323.44 g/mol, XLogP of 0.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one is sourced from PubChem (CID 131949700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).