3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

C21H35N3O2 — CID 28356482

IUPAC3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CCCCC3
InChIInChI=1S/C21H35N3O2/c1-2-22-14-16-23(17-15-22)20(25)9-8-18-10-12-24(13-11-18)21(26)19-6-4-3-5-7-19/h6,18H,2-5,7-17H2,1H3
InChIKeyIBXNUDURAJTFDX-UHFFFAOYSA-N
MW361.50 g/mol
LogP2.40
Rot. Bonds5

About 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one

3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 28356482) has the molecular formula C21H35N3O2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID28356482
Molecular FormulaC21H35N3O2
Molecular Weight361.50 g/mol
Exact Mass361.27
IUPAC Name3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CCCCC3
InChIInChI=1S/C21H35N3O2/c1-2-22-14-16-23(17-15-22)20(25)9-8-18-10-12-24(13-11-18)21(26)19-6-4-3-5-7-19/h6,18H,2-5,7-17H2,1H3
InChIKeyIBXNUDURAJTFDX-UHFFFAOYSA-N
XLogP2.40
TPSA43.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity515

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

3-[1-[2-(Cyclohexen-1-yl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 26324048
N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]cyclopentene-1-carboxamide
CID 28101026
3-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 29258444
N-[(1-cyclopentyl-3-piperidinyl)methyl]-N-[2-(1-piperidinyl)ethyl]-1-cyclopentene-1-carboxamide
CID 45211740
1-{3-[1-(3-Cyclohexen-1-ylmethyl)-4-piperidinyl]propanoyl}-4-ethylpiperazine
CID 45236580
3-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 45246852
Ethyl 4-{[6-(1-cyclohexen-1-ylcarbonyl)-6-azaspiro[2.5]oct-1-yl]carbonyl}-1-piperazinecarboxylate
CID 118757065
4-prop-1-en-2-yl-N,N-dipropylcyclohexene-1-carboxamide
CID 10444770
(6E,10E)-3,7,11,15-tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one
CID 21298075
3,7,11,15-Tetramethyl-1-(4-methylpiperazin-1-yl)hexadeca-6,10,14-trien-1-one
CID 53637928
1-[4-[(6E)-3,7,11-trimethyldodeca-6,10-dienyl]piperazin-1-yl]heptadecan-1-one
CID 59671955
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-5-(4-methylpiperidin-1-yl)pentane-1,5-dione
CID 66794131

Frequently Asked Questions

What is the IUPAC name of 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 28356482) is 3-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C3=CCCCC3.
What is the InChIKey of 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is IBXNUDURAJTFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-2-22-14-16-23(17-15-22)20(25)9-8-18-10-12-24(13-11-18)21(26)19-6-4-3-5-7-19/h6,18H,2-5,7-17H2,1H3.
What are the key properties of 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 361.50 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(Cyclohexene-1-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 28356482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).