2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one

C20H37NO — CID 167479890

IUPAC2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one
SMILESCC(C)C(=O)C1CCC(CCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C20H37NO/c1-15(2)18-10-13-21(14-11-18)12-9-17-5-7-19(8-6-17)20(22)16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyLSQLPVGSSAVEPD-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.78
Rot. Bonds6

About 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one

2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one (PubChem CID 167479890) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one
PubChem CID167479890
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC Name2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one
SMILESCC(C)C(=O)C1CCC(CCN2CCC(C(C)C)CC2)CC1
InChIInChI=1S/C20H37NO/c1-15(2)18-10-13-21(14-11-18)12-9-17-5-7-19(8-6-17)20(22)16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyLSQLPVGSSAVEPD-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one (CID 167479890) is 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one is CC(C)C(=O)C1CCC(CCN2CCC(C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one?
The InChIKey is LSQLPVGSSAVEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-15(2)18-10-13-21(14-11-18)12-9-17-5-7-19(8-6-17)20(22)16(3)4/h15-19H,5-14H2,1-4H3.
What are the key properties of 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one?
2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one has a molecular weight of 307.52 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]cyclohexyl]propan-1-one is sourced from PubChem (CID 167479890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).