1-(4-pyridin-3-ylcyclohexyl)pentan-1-one

C16H23NO — CID 118147206

IUPAC1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
SMILESCCCCC(=O)C1CCC(c2cccnc2)CC1
InChIInChI=1S/C16H23NO/c1-2-3-6-16(18)14-9-7-13(8-10-14)15-5-4-11-17-12-15/h4-5,11-14H,2-3,6-10H2,1H3
InChIKeyNTFHXFYKBVALFM-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.11
Rot. Bonds5

About 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one

1-(4-pyridin-3-ylcyclohexyl)pentan-1-one (PubChem CID 118147206) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
PubChem CID118147206
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
SMILESCCCCC(=O)C1CCC(c2cccnc2)CC1
InChIInChI=1S/C16H23NO/c1-2-3-6-16(18)14-9-7-13(8-10-14)15-5-4-11-17-12-15/h4-5,11-14H,2-3,6-10H2,1H3
InChIKeyNTFHXFYKBVALFM-UHFFFAOYSA-N
XLogP4.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
CID 101058020
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
CID 3104712
(4-butylcyclohexyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 56892222
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
1-(4-butylcyclohexyl)-2-pyridin-3-ylethanone
CID 115798988
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
1-[(1S,2S)-2-pyridin-3-ylcyclopropyl]propan-1-one
CID 138715755
dodecanoic acid;3-(1-methylpyrrolidin-2-yl)pyridine
CID 51042709
3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;tetradecanoic acid
CID 67864533
1-(4-methylcyclohexyl)pentan-1-one
CID 62621945

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one?
The IUPAC name of 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one (CID 118147206) is 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one.
What is the SMILES notation for 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one?
The canonical SMILES for 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one is CCCCC(=O)C1CCC(c2cccnc2)CC1.
What is the InChIKey of 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one?
The InChIKey is NTFHXFYKBVALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-3-6-16(18)14-9-7-13(8-10-14)15-5-4-11-17-12-15/h4-5,11-14H,2-3,6-10H2,1H3.
What are the key properties of 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one?
1-(4-pyridin-3-ylcyclohexyl)pentan-1-one has a molecular weight of 245.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-3-ylcyclohexyl)pentan-1-one is sourced from PubChem (CID 118147206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).