1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one

C18H32N2O2 — CID 45237725

IUPAC1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCCC1(O)CNCC1CCCCC1
InChIInChI=1S/C18H32N2O2/c21-17-18(22,14-19-12-15-6-2-1-3-7-15)10-5-11-20(17)13-16-8-4-9-16/h15-16,19,22H,1-14H2
InChIKeyFUHAOARZTMDRAN-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.31
Rot. Bonds6

About 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one

1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one (PubChem CID 45237725) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
PubChem CID45237725
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCCC1(O)CNCC1CCCCC1
InChIInChI=1S/C18H32N2O2/c21-17-18(22,14-19-12-15-6-2-1-3-7-15)10-5-11-20(17)13-16-8-4-9-16/h15-16,19,22H,1-14H2
InChIKeyFUHAOARZTMDRAN-UHFFFAOYSA-N
XLogP2.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one (CID 45237725) is 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one is O=C1N(CC2CCC2)CCCC1(O)CNCC1CCCCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is FUHAOARZTMDRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-17-18(22,14-19-12-15-6-2-1-3-7-15)10-5-11-20(17)13-16-8-4-9-16/h15-16,19,22H,1-14H2.
What are the key properties of 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one?
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 308.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45237725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).