9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

C18H23ClN2O3 — CID 97133136

IUPAC9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H23ClN2O3/c1-20-12-18(7-6-15(20)22)8-10-21(11-9-18)17(24)16(23)13-2-4-14(19)5-3-13/h2-5,16,23H,6-12H2,1H3/t16-/m0/s1
InChIKeyMQIMNWYMTAYGOH-INIZCTEOSA-N
MW350.85 g/mol
LogP2.23
Rot. Bonds2

About 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97133136) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97133136
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C18H23ClN2O3/c1-20-12-18(7-6-15(20)22)8-10-21(11-9-18)17(24)16(23)13-2-4-14(19)5-3-13/h2-5,16,23H,6-12H2,1H3/t16-/m0/s1
InChIKeyMQIMNWYMTAYGOH-INIZCTEOSA-N
XLogP2.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2R)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-cyclopentyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97113341
2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 86283463
2-(4-chlorophenyl)-2-hydroxy-1-[4-(2-methylsulfanylethyl)piperazin-1-yl]ethanone
CID 118767630
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
9-[2-(4-fluorophenyl)-2-hydroxyacetyl]-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 91782284
9-[(2R,3S)-2-amino-3-hydroxybutanoyl]-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872525
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935399
2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77092196
(2S)-2-amino-3-(4-chlorophenyl)-1-(3,3-difluoropyrrolidin-1-yl)butan-1-one
CID 71148670
2-methyl-9-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72939452
2-(2-hydroxyethyl)-9-[(2R)-2-phenylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97119810
9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72855403

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (CID 97133136) is 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCC1=O)CCN(C(=O)[C@@H](O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MQIMNWYMTAYGOH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-20-12-18(7-6-15(20)22)8-10-21(11-9-18)17(24)16(23)13-2-4-14(19)5-3-13/h2-5,16,23H,6-12H2,1H3/t16-/m0/s1.
What are the key properties of 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 350.85 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97133136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).