1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one

C16H30N2O2 — CID 65118942

IUPAC1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCC1CCCC(O)(CN2CCCC(NC(C)C)C2=O)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-14-7-5-9-18(15(14)19)11-16(20)8-4-6-13(3)10-16/h12-14,17,20H,4-11H2,1-3H3
InChIKeyOPBCLVRJJNMLEF-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds4

About 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one

1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 65118942) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
PubChem CID65118942
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCC1CCCC(O)(CN2CCCC(NC(C)C)C2=O)C1
InChIInChI=1S/C16H30N2O2/c1-12(2)17-14-7-5-9-18(15(14)19)11-16(20)8-4-6-13(3)10-16/h12-14,17,20H,4-11H2,1-3H3
InChIKeyOPBCLVRJJNMLEF-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one (CID 65118942) is 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one is CC1CCCC(O)(CN2CCCC(NC(C)C)C2=O)C1.
What is the InChIKey of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is OPBCLVRJJNMLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(2)17-14-7-5-9-18(15(14)19)11-16(20)8-4-6-13(3)10-16/h12-14,17,20H,4-11H2,1-3H3.
What are the key properties of 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 282.43 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 65118942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).