1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one

C17H28N2O2 — CID 26392922

IUPAC1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(CCC(=O)N2CCCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-2-3-6-16(20)19-13-9-15(10-14-19)7-8-17(21)18-11-4-5-12-18/h2,15H,1,3-14H2
InChIKeyUMCFXOPUXKGLKQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.59
Rot. Bonds6

About 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one

1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one (PubChem CID 26392922) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one
PubChem CID26392922
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCC(CCC(=O)N2CCCC2)CC1
InChIInChI=1S/C17H28N2O2/c1-2-3-6-16(20)19-13-9-15(10-14-19)7-8-17(21)18-11-4-5-12-18/h2,15H,1,3-14H2
InChIKeyUMCFXOPUXKGLKQ-UHFFFAOYSA-N
XLogP2.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-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

Cambridge id 6579812
CID 44782287
1-{4-[1-(3-cyclopentenylcarbonyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-1-ethanone
CID 91921279
1-{4-[1-(3-cyclohexenylcarbonyl)tetrahydro-1H-pyrrol-3-yl]piperidino}-1-ethanone
CID 91921468
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
1-(2-Cyclopenten-1-ylacetyl)-3-(1-pyrrolidinylmethyl)piperidine
CID 45933122
[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 164638649
[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 36691114
Cyclohex-3-en-1-yl(pyrrolidin-1-yl)methanone
CID 304100
2-(3-Butenoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45206696
[1-(2,2-Dimethylpent-4-enyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56702288
(3aR*,7aS*)-2-{[1-(cyclopentylcarbonyl)-4-piperidinyl]carbonyl}-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 72892621
3-Cyclohexenyl[3-(1-methyl-4-piperidyl)-1-pyrrolidinyl]methanone
CID 91921466

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one (CID 26392922) is 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCC(CCC(=O)N2CCCC2)CC1.
What is the InChIKey of 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one?
The InChIKey is UMCFXOPUXKGLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-2-3-6-16(20)19-13-9-15(10-14-19)7-8-17(21)18-11-4-5-12-18/h2,15H,1,3-14H2.
What are the key properties of 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one?
1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one has a molecular weight of 292.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 26392922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).