6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one

C17H22ClNO2 — CID 138641611

IUPAC6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
SMILESCC1CCC(c2ccc(Cl)cc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C17H22ClNO2/c1-12-4-9-16(13-5-7-14(18)8-6-13)19(17(12)20)15-3-2-10-21-11-15/h5-8,12,15-16H,2-4,9-11H2,1H3
InChIKeyPCXVENUWGYMVCO-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.82
Rot. Bonds2

About 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one

6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one (PubChem CID 138641611) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
PubChem CID138641611
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one
SMILESCC1CCC(c2ccc(Cl)cc2)N(C2CCCOC2)C1=O
InChIInChI=1S/C17H22ClNO2/c1-12-4-9-16(13-5-7-14(18)8-6-13)19(17(12)20)15-3-2-10-21-11-15/h5-8,12,15-16H,2-4,9-11H2,1H3
InChIKeyPCXVENUWGYMVCO-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one?
The IUPAC name of 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one (CID 138641611) is 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one is CC1CCC(c2ccc(Cl)cc2)N(C2CCCOC2)C1=O.
What is the InChIKey of 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one?
The InChIKey is PCXVENUWGYMVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-12-4-9-16(13-5-7-14(18)8-6-13)19(17(12)20)15-3-2-10-21-11-15/h5-8,12,15-16H,2-4,9-11H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one?
6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one has a molecular weight of 307.82 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-methyl-1-(oxan-3-yl)piperidin-2-one is sourced from PubChem (CID 138641611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).