(3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one

C12H17N2OP — CID 129035962

IUPAC(3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one
SMILESC[C@H]1NC(=O)[C@H](NP)C[C@H]1c1ccccc1
InChIInChI=1S/C12H17N2OP/c1-8-10(9-5-3-2-4-6-9)7-11(14-16)12(15)13-8/h2-6,8,10-11,14H,7,16H2,1H3,(H,13,15)/t8-,10-,11-/m1/s1
InChIKeyIKOGCQZUKSTIOG-FBIMIBRVSA-N
MW236.26 g/mol
LogP1.43
Rot. Bonds2

About (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one

(3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one (PubChem CID 129035962) has the molecular formula C12H17N2OP and a molecular weight of 236.26 g/mol. Its IUPAC name is (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one.

Molecular Properties

Compound Name(3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one
PubChem CID129035962
Molecular FormulaC12H17N2OP
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC Name(3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one
SMILESC[C@H]1NC(=O)[C@H](NP)C[C@H]1c1ccccc1
InChIInChI=1S/C12H17N2OP/c1-8-10(9-5-3-2-4-6-9)7-11(14-16)12(15)13-8/h2-6,8,10-11,14H,7,16H2,1H3,(H,13,15)/t8-,10-,11-/m1/s1
InChIKeyIKOGCQZUKSTIOG-FBIMIBRVSA-N
XLogP1.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine
CID 95365998
N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide
CID 142244117
(3R,4S,5R)-3,5-dimethyl-4-phenylpyrrolidin-2-one
CID 15432500
carbon dioxide;(3R,4S)-3-methyl-4-phenylpyrrolidin-2-one
CID 160728720
[(1R,3S)-2,3-dimethylcyclobutyl]benzene
CID 142373098
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 66106755
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18695843
(2R,3R,6S,7R)-3,6-dimethyl-2,7-diphenyl-1,4-diazepan-5-one
CID 15038927
2-methyl-3-phenylcyclopentan-1-one
CID 12573116

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one?
The IUPAC name of (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one (CID 129035962) is (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one.
What is the SMILES notation for (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one?
The canonical SMILES for (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one is C[C@H]1NC(=O)[C@H](NP)C[C@H]1c1ccccc1.
What is the InChIKey of (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one?
The InChIKey is IKOGCQZUKSTIOG-FBIMIBRVSA-N. The full InChI is InChI=1S/C12H17N2OP/c1-8-10(9-5-3-2-4-6-9)7-11(14-16)12(15)13-8/h2-6,8,10-11,14H,7,16H2,1H3,(H,13,15)/t8-,10-,11-/m1/s1.
What are the key properties of (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one?
(3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one has a molecular weight of 236.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one is sourced from PubChem (CID 129035962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).