3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one

C16H29NO — CID 890408

IUPAC3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
SMILESCC[C@@H]1CCCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C16H29NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyRHSXDXRKTOKZBD-OAHLLOKOSA-N
MW251.41 g/mol
LogP4.14
Rot. Bonds4

About 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one

3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one (PubChem CID 890408) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
PubChem CID890408
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
SMILESCC[C@@H]1CCCCN1C(=O)CCC1CCCCC1
InChIInChI=1S/C16H29NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h14-15H,2-13H2,1H3/t15-/m1/s1
InChIKeyRHSXDXRKTOKZBD-OAHLLOKOSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225
1-(2-ethylpiperidin-1-yl)-4-methylpentan-1-one
CID 150449781
4-chloro-1-(2-ethylpiperidin-1-yl)butan-1-one
CID 3613562
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-cyclohexylpropan-1-one
CID 80675414
1-(2-ethylpiperidin-1-yl)pent-4-en-1-one
CID 137321053
2-[2-(2-ethylazepan-1-yl)-2-oxoethoxy]acetic acid
CID 104689142

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one (CID 890408) is 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one is CC[C@@H]1CCCCN1C(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
The InChIKey is RHSXDXRKTOKZBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-15-10-6-7-13-17(15)16(18)12-11-14-8-4-3-5-9-14/h14-15H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one?
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one has a molecular weight of 251.41 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 890408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).