1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one

C16H27NO — CID 79059739

IUPAC1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H27NO/c1-2-3-5-10-15(18)16(11-6-7-12-16)17-13-8-4-9-14-17/h2H,1,3-14H2
InChIKeyASIXYQGZIMVLSY-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds6

About 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one

1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one (PubChem CID 79059739) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one
PubChem CID79059739
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1(N2CCCCC2)CCCC1
InChIInChI=1S/C16H27NO/c1-2-3-5-10-15(18)16(11-6-7-12-16)17-13-8-4-9-14-17/h2H,1,3-14H2
InChIKeyASIXYQGZIMVLSY-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,2,6,6-Pentakis(prop-2-enyl)piperidin-4-one
CID 67805335
5-(2,2,6,6-Tetramethyl-1-prop-2-enylpiperidin-4-yl)pent-1-en-3-one
CID 89829225
2,4-Dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
CID 90351461
(4S)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351464
2-Methyl-4-[methyl(propan-2-yl)amino]-4-pent-4-enylnon-8-en-3-one
CID 90351469
2,4-Dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351471
(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]non-8-en-3-one
CID 90351472
(4S)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
CID 118300535
(4R)-2,4-dimethyl-4-[methyl(propan-2-yl)amino]dec-9-en-3-one
CID 118300537
2-methyl-1-[(2S)-2-pent-4-enyl-1-propan-2-ylpyrrolidin-2-yl]propan-1-one
CID 118332961
3-(Dimethylamino)-3-hex-5-enylnon-8-en-2-one
CID 122674374
(8Z)-1-azabicyclo[11.3.1]heptadec-8-en-3-one
CID 141153329

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one?
The IUPAC name of 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one (CID 79059739) is 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one.
What is the SMILES notation for 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one?
The canonical SMILES for 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one is C=CCCCC(=O)C1(N2CCCCC2)CCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one?
The InChIKey is ASIXYQGZIMVLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-2-3-5-10-15(18)16(11-6-7-12-16)17-13-8-4-9-14-17/h2H,1,3-14H2.
What are the key properties of 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one?
1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one has a molecular weight of 249.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylcyclopentyl)hex-5-en-1-one is sourced from PubChem (CID 79059739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).