3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one

C15H26N2O2 — CID 104930829

IUPAC3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCC2CCCCC2)CCC1=NO
InChIInChI=1S/C15H26N2O2/c1-12-11-17(10-9-14(12)16-19)15(18)8-7-13-5-3-2-4-6-13/h12-13,19H,2-11H2,1H3
InChIKeyAJRGKAWJONXNQV-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.05
Rot. Bonds3

About 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one

3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one (PubChem CID 104930829) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
PubChem CID104930829
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CN(C(=O)CCC2CCCCC2)CCC1=NO
InChIInChI=1S/C15H26N2O2/c1-12-11-17(10-9-14(12)16-19)15(18)8-7-13-5-3-2-4-6-13/h12-13,19H,2-11H2,1H3
InChIKeyAJRGKAWJONXNQV-UHFFFAOYSA-N
XLogP3.05
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyclopentyl-1-(3-ethyl-4-hydroxyiminopiperidin-1-yl)propan-1-one
CID 104931309
1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
CID 104930760
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793
7-bicyclo[4.1.0]heptanyl-(4-hydroxyimino-3-methylpiperidin-1-yl)methanone
CID 104930843
3-cyclopentyl-1-(4-cyclopropylidenepiperidin-1-yl)propan-1-one
CID 121187051
1-[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-2-phenylethanone
CID 114500853
(4-hydroxyimino-3-methylpiperidin-1-yl)-(thian-2-yl)methanone
CID 104930782
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-[4-(2-chloroacetyl)piperazin-1-yl]-3-cyclohexylpropan-1-one
CID 108569580
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one (CID 104930829) is 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one is CC1CN(C(=O)CCC2CCCCC2)CCC1=NO.
What is the InChIKey of 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is AJRGKAWJONXNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-12-11-17(10-9-14(12)16-19)15(18)8-7-13-5-3-2-4-6-13/h12-13,19H,2-11H2,1H3.
What are the key properties of 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one?
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 266.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 104930829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).