[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone

C21H23NO3 — CID 126454708

IUPAC[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCO[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H23NO3/c1-15-14-22(13-12-19(15)25-2)21(24)18-11-7-6-10-17(18)20(23)16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3/t15-,19+/m1/s1
InChIKeyPBJMPTWSATXYTN-BEFAXECRSA-N
MW337.42 g/mol
LogP3.41
Rot. Bonds4

About [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone

[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 126454708) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID126454708
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCO[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@H]1C
InChIInChI=1S/C21H23NO3/c1-15-14-22(13-12-19(15)25-2)21(24)18-11-7-6-10-17(18)20(23)16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3/t15-,19+/m1/s1
InChIKeyPBJMPTWSATXYTN-BEFAXECRSA-N
XLogP3.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
[2-[3-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 110886887
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
(3,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115871745
phenyl-[2-(3-phenylazepane-1-carbonyl)phenyl]methanone
CID 121130874
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 126776764
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
tert-butyl 4-benzoyloxy-3-methylpiperidine-1-carboxylate
CID 129278133
(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957473
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
1-[2-(3,4-dimethylbenzoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119353919

Frequently Asked Questions

What is the IUPAC name of [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone (CID 126454708) is [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone is CO[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@H]1C.
What is the InChIKey of [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is PBJMPTWSATXYTN-BEFAXECRSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15-14-22(13-12-19(15)25-2)21(24)18-11-7-6-10-17(18)20(23)16-8-4-3-5-9-16/h3-11,15,19H,12-14H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone?
[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 337.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 126454708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).