3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

C22H37N3O2 — CID 26324048

IUPAC3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)CC3=CCCCC3)CC2)CC1
InChIInChI=1S/C22H37N3O2/c1-2-23-14-16-25(17-15-23)21(26)9-8-19-10-12-24(13-11-19)22(27)18-20-6-4-3-5-7-20/h6,19H,2-5,7-18H2,1H3
InChIKeyQYZLDCIVGMLNFO-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.06
Rot. Bonds6

About 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 26324048) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID26324048
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCC2CCN(C(=O)CC3=CCCCC3)CC2)CC1
InChIInChI=1S/C22H37N3O2/c1-2-23-14-16-25(17-15-23)21(26)9-8-19-10-12-24(13-11-19)22(27)18-20-6-4-3-5-7-20/h6,19H,2-5,7-18H2,1H3
InChIKeyQYZLDCIVGMLNFO-UHFFFAOYSA-N
XLogP3.06
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

[4-(Cyclohex-3-enecarbonyl)-piperazin-1-yl]-cyclohex-3-enyl-methanone
CID 3133172
2-[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029853
2-[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile
CID 38029957
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 3150593
N-[[(1S,4S,6S)-4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
CID 38026924
1-[4-(Azepane-1-carbonyl)piperidin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 53594219
(E)-11-[3-hexyl-6-[8-(4-methylpiperazin-1-yl)-8-oxooctyl]-2-pentylcyclohexyl]-1-(4-methylpiperazin-1-yl)undec-9-en-1-one
CID 5795464
(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-di(piperidin-1-yl)heptane-1,7-dione
CID 101105682
N-oleoyl-4-propylpiperidine
CID 129727964
3-[(1E,5E)-6-(3-oxo-3-piperidin-1-ylpropyl)cycloocta-1,5-dien-1-yl]-1-piperidin-1-ylpropan-1-one
CID 146168378
(6R)-6,10-dimethyl-1-piperidin-1-ylundec-9-en-1-one
CID 166447396
1-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 25492930

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 26324048) is 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCC2CCN(C(=O)CC3=CCCCC3)CC2)CC1.
What is the InChIKey of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is QYZLDCIVGMLNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-2-23-14-16-25(17-15-23)21(26)9-8-19-10-12-24(13-11-19)22(27)18-20-6-4-3-5-7-20/h6,19H,2-5,7-18H2,1H3.
What are the key properties of 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 375.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 26324048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).