3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one

C16H29NO — CID 114193556

IUPAC3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
SMILESCCC1(C(=O)CCC2CCCCC2)CCNCC1
InChIInChI=1S/C16H29NO/c1-2-16(10-12-17-13-11-16)15(18)9-8-14-6-4-3-5-7-14/h14,17H,2-13H2,1H3
InChIKeyPJAZSLMIMYQTAB-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.70
Rot. Bonds5

About 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one

3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one (PubChem CID 114193556) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
PubChem CID114193556
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
SMILESCCC1(C(=O)CCC2CCCCC2)CCNCC1
InChIInChI=1S/C16H29NO/c1-2-16(10-12-17-13-11-16)15(18)9-8-14-6-4-3-5-7-14/h14,17H,2-13H2,1H3
InChIKeyPJAZSLMIMYQTAB-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568088
1-(4-ethylpiperidin-4-yl)-4-methylpentan-1-one
CID 116567943
1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
2-cyclohexyl-1-(1-ethylcyclopentyl)ethanone
CID 114967656
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
CID 116570196
3-cyclopropyl-1-(2-ethylpyrrolidin-2-yl)propan-1-one
CID 116608261
3-cyclopentyl-1-(1-methoxycycloheptyl)propan-1-one
CID 114191963
N-(cyclohexylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128373
N-[(1R)-1-cyclohexylethyl]-4-ethylpiperidine-4-carboxamide
CID 81385512
N-cyclopropyl-N,4-diethylpiperidine-4-carboxamide
CID 63127607
4-ethyl-N-methyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 63128396

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one (CID 114193556) is 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one is CCC1(C(=O)CCC2CCCCC2)CCNCC1.
What is the InChIKey of 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one?
The InChIKey is PJAZSLMIMYQTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-16(10-12-17-13-11-16)15(18)9-8-14-6-4-3-5-7-14/h14,17H,2-13H2,1H3.
What are the key properties of 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one?
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one has a molecular weight of 251.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 114193556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).