1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone

C20H23NO — CID 1292213

IUPAC1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
SMILESC[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO/c1-16-9-8-14-21(15-16)20(22)19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-/m0/s1
InChIKeyWKMMNBATLPFXJN-INIZCTEOSA-N
MW293.41 g/mol
LogP4.08
Rot. Bonds3

About 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone

1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone (PubChem CID 1292213) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
PubChem CID1292213
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone
SMILESC[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO/c1-16-9-8-14-21(15-16)20(22)19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-/m0/s1
InChIKeyWKMMNBATLPFXJN-INIZCTEOSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
(2R)-1-[(3S)-3-methylpiperidin-1-yl]-2-phenoxypropan-1-one
CID 669843
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone (CID 1292213) is 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone is C[C@H]1CCCN(C(=O)C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is WKMMNBATLPFXJN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23NO/c1-16-9-8-14-21(15-16)20(22)19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,16,19H,8-9,14-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone?
1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 293.41 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 1292213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).