(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one

C23H35N3O2 — CID 95210457

IUPAC(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCN1CCC2(CC1)CCN(C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)C2
InChIInChI=1S/C23H35N3O2/c1-24-15-10-22(11-16-24)12-17-25(18-22)19-23(28)9-5-13-26(21(23)27)14-8-20-6-3-2-4-7-20/h2-4,6-7,28H,5,8-19H2,1H3/t23-/m0/s1
InChIKeyYRZVSKNOJKSKDZ-QHCPKHFHSA-N
MW385.55 g/mol
LogP2.00
Rot. Bonds5

About (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one

(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one (PubChem CID 95210457) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one
PubChem CID95210457
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one
SMILESCN1CCC2(CC1)CCN(C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)C2
InChIInChI=1S/C23H35N3O2/c1-24-15-10-22(11-16-24)12-17-25(18-22)19-23(28)9-5-13-26(21(23)27)14-8-20-6-3-2-4-7-20/h2-4,6-7,28H,5,8-19H2,1H3/t23-/m0/s1
InChIKeyYRZVSKNOJKSKDZ-QHCPKHFHSA-N
XLogP2.00
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-1,4-diazepan-5-one
CID 56701666
3-hydroxy-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 45174681
(3S)-3-hydroxy-3-[[2-hydroxyethyl(methyl)amino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95227431
1-cyclopentyl-4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazin-2-one
CID 56707867
methyl 2-[4-[[3-hydroxy-2-oxo-1-(2-phenylethyl)piperidin-3-yl]methyl]-2-oxopiperazin-1-yl]acetate
CID 56711235
(3S)-3-hydroxy-3-[[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]methyl]-1-(2-phenylethyl)piperidin-2-one
CID 95228907
3-hydroxy-1-(2-phenylethyl)-3-[(2-pyrrolidin-1-ylethylamino)methyl]piperidin-2-one
CID 56711538
4-[[(3R)-3-hydroxy-2-oxo-1-(3-phenylpropyl)piperidin-3-yl]methyl]piperazin-2-one
CID 95218993
(3S)-3-hydroxy-1-(2-phenylethyl)-3-[[4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methyl]piperidin-2-one
CID 95199038
3-hydroxy-3-[(2-hydroxyethylamino)methyl]-1-(2-phenylethyl)piperidin-2-one
CID 56701415
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one?
The IUPAC name of (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one (CID 95210457) is (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one is CN1CCC2(CC1)CCN(C[C@@]1(O)CCCN(CCc3ccccc3)C1=O)C2.
What is the InChIKey of (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one?
The InChIKey is YRZVSKNOJKSKDZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-24-15-10-22(11-16-24)12-17-25(18-22)19-23(28)9-5-13-26(21(23)27)14-8-20-6-3-2-4-7-20/h2-4,6-7,28H,5,8-19H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one?
(3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one has a molecular weight of 385.55 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-1-(2-phenylethyl)piperidin-2-one is sourced from PubChem (CID 95210457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).