1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

C19H32N2O — CID 3150593

IUPAC1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C19H32N2O/c22-19(11-10-17-6-4-5-7-17)21-14-12-20(13-15-21)16-18-8-2-1-3-9-18/h1-2,17-18H,3-16H2
InChIKeyZOININOYIASADC-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.46
Rot. Bonds5

About 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 3150593) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID3150593
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C19H32N2O/c22-19(11-10-17-6-4-5-7-17)21-14-12-20(13-15-21)16-18-8-2-1-3-9-18/h1-2,17-18H,3-16H2
InChIKeyZOININOYIASADC-UHFFFAOYSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.46
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-[4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazin-4-ium-1-yl]-3-cyclopentylpropan-1-one
CID 6944878
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
tert-butyl 4-(cyclohex-3-en-1-ylmethyl)piperazine-1-carboxylate
CID 139403745
1-(cyclohex-3-en-1-ylmethyl)-4-cyclopentylpiperazine
CID 2881661
1-[[(1S)-cyclohex-3-en-1-yl]methyl]-4-cyclopentylpiperazine
CID 773063
[4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 1122466
1-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 128927567
3-cyclopentyl-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 110898395
1-cycloheptyl-4-(cyclohex-3-en-1-ylmethyl)piperazine
CID 2881401
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
1-[[(1S)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 678228

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one (CID 3150593) is 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)N1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is ZOININOYIASADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c22-19(11-10-17-6-4-5-7-17)21-14-12-20(13-15-21)16-18-8-2-1-3-9-18/h1-2,17-18H,3-16H2.
What are the key properties of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 304.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 3150593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).