1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one

C16H28N2O — CID 139799297

IUPAC1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one
SMILESC=CCC1CCN(CCCN2CCCCC2=O)CC1
InChIInChI=1S/C16H28N2O/c1-2-6-15-8-13-17(14-9-15)10-5-12-18-11-4-3-7-16(18)19/h2,15H,1,3-14H2
InChIKeyIHMXLRXNKNEKSA-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds6

About 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one

1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one (PubChem CID 139799297) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one
PubChem CID139799297
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one
SMILESC=CCC1CCN(CCCN2CCCCC2=O)CC1
InChIInChI=1S/C16H28N2O/c1-2-6-15-8-13-17(14-9-15)10-5-12-18-11-4-3-7-16(18)19/h2,15H,1,3-14H2
InChIKeyIHMXLRXNKNEKSA-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-undec-10-enylpiperidin-2-one
CID 23295884
1-but-3-enylpiperidin-2-one
CID 14225189
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]propyl]azepan-2-one
CID 67625232
1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]quinolin-2-one
CID 69033185
1-[3-(azepan-1-yl)propyl]-4-ethenylpyrrolidin-2-one
CID 168685223
1-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119931911
1-(3-chloropropyl)azepan-2-one
CID 14811847
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
(3S)-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42358325
1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479953

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one?
The IUPAC name of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one (CID 139799297) is 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one.
What is the SMILES notation for 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one?
The canonical SMILES for 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one is C=CCC1CCN(CCCN2CCCCC2=O)CC1.
What is the InChIKey of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one?
The InChIKey is IHMXLRXNKNEKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-6-15-8-13-17(14-9-15)10-5-12-18-11-4-3-7-16(18)19/h2,15H,1,3-14H2.
What are the key properties of 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one?
1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one has a molecular weight of 264.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-prop-2-enylpiperidin-1-yl)propyl]piperidin-2-one is sourced from PubChem (CID 139799297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).