(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one

C18H32N2O2 — CID 42363388

IUPAC(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCCCCCC1
InChIInChI=1S/C18H32N2O2/c21-17-18(22,15-19-11-4-2-1-3-5-12-19)10-7-13-20(17)14-16-8-6-9-16/h16,22H,1-15H2/t18-/m1/s1
InChIKeyLCWNFLGQFHPZJZ-GOSISDBHSA-N
MW308.47 g/mol
LogP2.41
Rot. Bonds4

About (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one

(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one (PubChem CID 42363388) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
PubChem CID42363388
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one
SMILESO=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCCCCCC1
InChIInChI=1S/C18H32N2O2/c21-17-18(22,15-19-11-4-2-1-3-5-12-19)10-7-13-20(17)14-16-8-6-9-16/h16,22H,1-15H2/t18-/m1/s1
InChIKeyLCWNFLGQFHPZJZ-GOSISDBHSA-N
XLogP2.41
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(cyclohexylmethyl)-3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]piperidin-2-one
CID 29021771
1-(cyclopropylmethyl)-3-hydroxy-3-(thiomorpholin-4-ylmethyl)piperidin-2-one
CID 45219636
1-(cyclobutylmethyl)-3-[(cyclohexylmethylamino)methyl]-3-hydroxypiperidin-2-one
CID 45237725
N-[1-[[1-(cyclopropylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 56758793
3-[(cyclobutylamino)methyl]-1-(cyclohexylmethyl)-3-hydroxypiperidin-2-one
CID 45201622
4-[4-[[(3R)-1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 95191684
(3R)-1-(cyclobutylmethyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-3-hydroxypiperidin-2-one
CID 42213735
(3S)-1-(cyclopropylmethyl)-3-hydroxy-3-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]piperidin-2-one
CID 42214263
(3R)-1-(cyclohexylmethyl)-3-(diethylaminomethyl)-3-hydroxypiperidin-2-one
CID 26327978
1-(2-cyclohexylethyl)-3-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxypiperidin-2-one
CID 45179446
4-[[1-(cyclohexylmethyl)-3-hydroxy-2-oxopiperidin-3-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 45208360
1-(cyclohexylmethyl)-3-hydroxy-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)piperidin-2-one
CID 45189221

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one (CID 42363388) is (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one is O=C1N(CC2CCC2)CCC[C@@]1(O)CN1CCCCCCC1.
What is the InChIKey of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
The InChIKey is LCWNFLGQFHPZJZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H32N2O2/c21-17-18(22,15-19-11-4-2-1-3-5-12-19)10-7-13-20(17)14-16-8-6-9-16/h16,22H,1-15H2/t18-/m1/s1.
What are the key properties of (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one?
(3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one has a molecular weight of 308.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(azocan-1-ylmethyl)-1-(cyclobutylmethyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42363388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).