1-cyclohexyl-4-piperidin-3-ylpentan-2-one

C16H29NO — CID 116594382

IUPAC1-cyclohexyl-4-piperidin-3-ylpentan-2-one
SMILESCC(CC(=O)CC1CCCCC1)C1CCCNC1
InChIInChI=1S/C16H29NO/c1-13(15-8-5-9-17-12-15)10-16(18)11-14-6-3-2-4-7-14/h13-15,17H,2-12H2,1H3
InChIKeyRCAAJRYPSHJZJE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.55
Rot. Bonds5

About 1-cyclohexyl-4-piperidin-3-ylpentan-2-one

1-cyclohexyl-4-piperidin-3-ylpentan-2-one (PubChem CID 116594382) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-piperidin-3-ylpentan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-piperidin-3-ylpentan-2-one
PubChem CID116594382
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name1-cyclohexyl-4-piperidin-3-ylpentan-2-one
SMILESCC(CC(=O)CC1CCCCC1)C1CCCNC1
InChIInChI=1S/C16H29NO/c1-13(15-8-5-9-17-12-15)10-16(18)11-14-6-3-2-4-7-14/h13-15,17H,2-12H2,1H3
InChIKeyRCAAJRYPSHJZJE-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dimethyl-2-piperidin-3-ylnonan-4-one
CID 114201596
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
5-piperidin-3-ylhex-1-yn-3-one
CID 116594360
2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-(cyclobutylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724147
2-piperidin-3-ylnon-8-en-4-one
CID 116594394
N-(cyanomethyl)-3-piperidin-3-ylbutanamide
CID 81044352
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
2-cyclobutyl-N-(1-piperidin-3-ylethyl)acetamide
CID 103806063

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-piperidin-3-ylpentan-2-one?
The IUPAC name of 1-cyclohexyl-4-piperidin-3-ylpentan-2-one (CID 116594382) is 1-cyclohexyl-4-piperidin-3-ylpentan-2-one.
What is the SMILES notation for 1-cyclohexyl-4-piperidin-3-ylpentan-2-one?
The canonical SMILES for 1-cyclohexyl-4-piperidin-3-ylpentan-2-one is CC(CC(=O)CC1CCCCC1)C1CCCNC1.
What is the InChIKey of 1-cyclohexyl-4-piperidin-3-ylpentan-2-one?
The InChIKey is RCAAJRYPSHJZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(15-8-5-9-17-12-15)10-16(18)11-14-6-3-2-4-7-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 1-cyclohexyl-4-piperidin-3-ylpentan-2-one?
1-cyclohexyl-4-piperidin-3-ylpentan-2-one has a molecular weight of 251.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-piperidin-3-ylpentan-2-one is sourced from PubChem (CID 116594382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).