1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one

C16H27N3O2 — CID 131906919

IUPAC1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESC=C(C)CN1CCN(C(=O)CCN2CCCCC2=O)CC1
InChIInChI=1S/C16H27N3O2/c1-14(2)13-17-9-11-19(12-10-17)16(21)6-8-18-7-4-3-5-15(18)20/h1,3-13H2,2H3
InChIKeyWAEJBMKUXNTBAI-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.11
Rot. Bonds5

About 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one

1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one (PubChem CID 131906919) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one
PubChem CID131906919
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one
SMILESC=C(C)CN1CCN(C(=O)CCN2CCCCC2=O)CC1
InChIInChI=1S/C16H27N3O2/c1-14(2)13-17-9-11-19(12-10-17)16(21)6-8-18-7-4-3-5-15(18)20/h1,3-13H2,2H3
InChIKeyWAEJBMKUXNTBAI-UHFFFAOYSA-N
XLogP1.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-oxo-3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]piperidin-2-one
CID 70755856
1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-2-one
CID 110689775
1-[3-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]-3-oxopropyl]piperidin-2-one
CID 137345408
1-[3-oxo-3-[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]propyl]azepan-2-one
CID 138807961
1-[3-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]azepan-2-one
CID 70711022
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094
1-[2-[4-(2-methylsulfonylethyl)-1,4-diazepan-1-yl]-2-oxoethyl]piperidin-2-one
CID 134706707
1-[3-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]azepan-2-one
CID 137345775
1-[3-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-oxopropyl]azepan-2-one
CID 90649286
1-[3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]azepan-2-one
CID 45201205
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 70708600

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one?
The IUPAC name of 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one (CID 131906919) is 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one?
The canonical SMILES for 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one is C=C(C)CN1CCN(C(=O)CCN2CCCCC2=O)CC1.
What is the InChIKey of 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one?
The InChIKey is WAEJBMKUXNTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14(2)13-17-9-11-19(12-10-17)16(21)6-8-18-7-4-3-5-15(18)20/h1,3-13H2,2H3.
What are the key properties of 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one?
1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one has a molecular weight of 293.41 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methylprop-2-enyl)piperazin-1-yl]-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 131906919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).