(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile

C20H20N2O — CID 138970589

IUPAC(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile
SMILESCC1(C)[C@@H](c2ccccc2)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N2O/c1-20(2)17(14-9-5-3-6-10-14)16(13-21)19(23)22-18(20)15-11-7-4-8-12-15/h3-12,16-18H,1-2H3,(H,22,23)/t16-,17-,18+/m0/s1
InChIKeyMADATIFDXRDCRD-OKZBNKHCSA-N
MW304.39 g/mol
LogP3.81
Rot. Bonds2

About (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile

(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile (PubChem CID 138970589) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile.

Molecular Properties

Compound Name(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile
PubChem CID138970589
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile
SMILESCC1(C)[C@@H](c2ccccc2)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1
InChIInChI=1S/C20H20N2O/c1-20(2)17(14-9-5-3-6-10-14)16(13-21)19(23)22-18(20)15-11-7-4-8-12-15/h3-12,16-18H,1-2H3,(H,22,23)/t16-,17-,18+/m0/s1
InChIKeyMADATIFDXRDCRD-OKZBNKHCSA-N
XLogP3.81
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-5,5-dimethyl-2,6-dioxo-4-phenylpiperidine-3-carbonitrile
CID 7347371
2-oxo-4-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carbonitrile
CID 78088885
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
ethyl (2R,3S,4S,5S)-2,4-bis(4-chlorophenyl)-3,5-dicyano-6-oxopiperidine-3-carboxylate
CID 24798988
(3R,4R)-7,7-dimethyl-2,5-dioxo-4-phenyl-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 910627
(2S,3R,4R,5S)-2,5-dibromo-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
CID 132530978
(3R,5S)-4-methyl-2,6-dioxo-4-phenylpiperidine-3,5-dicarbonitrile
CID 51537056
5,5-dimethyl-2-phenyl-1,3-thiazolidin-4-one
CID 130010020
7,7-dimethyl-5-oxo-4-phenyl-2-sulfanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile
CID 3004976
(2,2,4-trimethyl-3-phenylcyclobutyl)benzene
CID 175871600
(6S)-5,5-dimethyl-6-phenylpiperidin-2-one
CID 138970238
4,4-dimethoxy-3,5-diphenylpyrazolidine
CID 90770156

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile?
The IUPAC name of (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile (CID 138970589) is (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile.
What is the SMILES notation for (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile?
The canonical SMILES for (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile is CC1(C)[C@@H](c2ccccc2)NC(=O)[C@@H](C#N)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile?
The InChIKey is MADATIFDXRDCRD-OKZBNKHCSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2)17(14-9-5-3-6-10-14)16(13-21)19(23)22-18(20)15-11-7-4-8-12-15/h3-12,16-18H,1-2H3,(H,22,23)/t16-,17-,18+/m0/s1.
What are the key properties of (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile?
(3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile has a molecular weight of 304.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6S)-5,5-dimethyl-2-oxo-4,6-diphenylpiperidine-3-carbonitrile is sourced from PubChem (CID 138970589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).