1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone

C15H27NO — CID 114594142

IUPAC1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(CC(=O)C2CCCC2)C1
InChIInChI=1S/C15H27NO/c1-11-8-12(2)13(3)16(9-11)10-15(17)14-6-4-5-7-14/h11-14H,4-10H2,1-3H3
InChIKeyNFHOPTSTOFOVDZ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds3

About 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone

1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone (PubChem CID 114594142) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
PubChem CID114594142
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)C(C)N(CC(=O)C2CCCC2)C1
InChIInChI=1S/C15H27NO/c1-11-8-12(2)13(3)16(9-11)10-15(17)14-6-4-5-7-14/h11-14H,4-10H2,1-3H3
InChIKeyNFHOPTSTOFOVDZ-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5,6-Trimethylpiperidin-3-one
CID 566749
5-Tert-butyl-1,2-dimethylpiperidin-3-one
CID 3941932
2,2-dimethyl-1-[(2S)-1-methylpiperidin-2-yl]propan-1-one
CID 10464981
2,2-Dimethyl-1-(1-methylpiperidin-2-yl)propan-1-one
CID 15758093
2,2-dimethyl-1-[(2R)-1-methylpiperidin-2-yl]propan-1-one
CID 118284000
2-(3,5-Dimethylpiperidin-1-yl)cyclohexan-1-one
CID 43794282
ethane;1-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]ethanone
CID 168976150
1-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]ethanone
CID 168976151
2-methyl-1-[(2S,4R)-1-propan-2-yl-4-(trifluoromethyl)piperidin-2-yl]propan-1-one
CID 176816765
2-(1-Piperidinylmethyl)cyclopentanone
CID 382866
1-(1-Methyl-3-piperidinyl)acetone
CID 15113774
trans-1,5-Dimethyl-2-isopropyl-3-piperidone
CID 746694

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone (CID 114594142) is 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone is CC1CC(C)C(C)N(CC(=O)C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
The InChIKey is NFHOPTSTOFOVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11-8-12(2)13(3)16(9-11)10-15(17)14-6-4-5-7-14/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone?
1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone has a molecular weight of 237.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114594142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).