(3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

C22H25ClN2O2 — CID 110148251

IUPAC(3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc(Cl)c2)[C@@H](c2ccccc2)[C@H](O)CC12CCNCC2
InChIInChI=1S/C22H25ClN2O2/c23-18-8-4-5-16(13-18)15-25-20(17-6-2-1-3-7-17)19(26)14-22(21(25)27)9-11-24-12-10-22/h1-8,13,19-20,24,26H,9-12,14-15H2/t19-,20+/m1/s1
InChIKeySDFUYTCNDXBFBM-UXHICEINSA-N
MW384.91 g/mol
LogP3.54
Rot. Bonds3

About (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

(3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 110148251) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID110148251
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESO=C1N(Cc2cccc(Cl)c2)[C@@H](c2ccccc2)[C@H](O)CC12CCNCC2
InChIInChI=1S/C22H25ClN2O2/c23-18-8-4-5-16(13-18)15-25-20(17-6-2-1-3-7-17)19(26)14-22(21(25)27)9-11-24-12-10-22/h1-8,13,19-20,24,26H,9-12,14-15H2/t19-,20+/m1/s1
InChIKeySDFUYTCNDXBFBM-UXHICEINSA-N
XLogP3.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (CID 110148251) is (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is O=C1N(Cc2cccc(Cl)c2)[C@@H](c2ccccc2)[C@H](O)CC12CCNCC2.
What is the InChIKey of (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is SDFUYTCNDXBFBM-UXHICEINSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c23-18-8-4-5-16(13-18)15-25-20(17-6-2-1-3-7-17)19(26)14-22(21(25)27)9-11-24-12-10-22/h1-8,13,19-20,24,26H,9-12,14-15H2/t19-,20+/m1/s1.
What are the key properties of (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
(3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 384.91 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2-[(3-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 110148251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).