1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one

C23H32N2O — CID 67588198

IUPAC1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1CCN1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C23H32N2O/c26-23-11-10-21-8-4-5-9-22(21)25(23)17-16-24-14-12-20(13-15-24)18-19-6-2-1-3-7-19/h4-5,8-11,19-20H,1-3,6-7,12-18H2
InChIKeyCBBQEWSJQZXYIK-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.68
Rot. Bonds5

About 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one

1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one (PubChem CID 67588198) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one.

Molecular Properties

Compound Name1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one
PubChem CID67588198
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one
SMILESO=c1ccc2ccccc2n1CCN1CCC(CC2CCCCC2)CC1
InChIInChI=1S/C23H32N2O/c26-23-11-10-21-8-4-5-9-22(21)25(23)17-16-24-14-12-20(13-15-24)18-19-6-2-1-3-7-19/h4-5,8-11,19-20H,1-3,6-7,12-18H2
InChIKeyCBBQEWSJQZXYIK-UHFFFAOYSA-N
XLogP4.68
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one?
The IUPAC name of 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one (CID 67588198) is 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one.
What is the SMILES notation for 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one?
The canonical SMILES for 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one is O=c1ccc2ccccc2n1CCN1CCC(CC2CCCCC2)CC1.
What is the InChIKey of 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one?
The InChIKey is CBBQEWSJQZXYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c26-23-11-10-21-8-4-5-9-22(21)25(23)17-16-24-14-12-20(13-15-24)18-19-6-2-1-3-7-19/h4-5,8-11,19-20H,1-3,6-7,12-18H2.
What are the key properties of 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one?
1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one has a molecular weight of 352.52 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(cyclohexylmethyl)piperidin-1-yl]ethyl]quinolin-2-one is sourced from PubChem (CID 67588198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).