2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone

C23H30N2O2 — CID 110607741

IUPAC2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
SMILESCOC(c1ccccc1)C1CCN(C(=O)C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C23H30N2O2/c1-24(2)21(18-10-6-4-7-11-18)23(26)25-16-14-20(15-17-25)22(27-3)19-12-8-5-9-13-19/h4-13,20-22H,14-17H2,1-3H3
InChIKeyWZROBSSPDWAAGV-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.92
Rot. Bonds6

About 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone

2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone (PubChem CID 110607741) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
PubChem CID110607741
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone
SMILESCOC(c1ccccc1)C1CCN(C(=O)C(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C23H30N2O2/c1-24(2)21(18-10-6-4-7-11-18)23(26)25-16-14-20(15-17-25)22(27-3)19-12-8-5-9-13-19/h4-13,20-22H,14-17H2,1-3H3
InChIKeyWZROBSSPDWAAGV-UHFFFAOYSA-N
XLogP3.92
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110357763
methyl 4-[methoxy(phenyl)methyl]piperidine-1-carboxylate
CID 110357816
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110357762
furan-2-yl-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357772
(2S)-1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(dimethylamino)-2-phenylethanone
CID 124611587
(3,4-dimethoxyphenyl)-[4-[methoxy(phenyl)methyl]piperidin-1-yl]methanone
CID 110357787
[4-[methoxy(phenyl)methyl]piperidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110357823
1-(2-chlorophenyl)-4-[4-[methoxy(phenyl)methyl]piperidin-1-yl]butane-1,4-dione
CID 110607769
2-(dimethylamino)-1-(3-phenoxypiperidin-1-yl)-2-phenylethanone
CID 110614924
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110356445

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone (CID 110607741) is 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone is COC(c1ccccc1)C1CCN(C(=O)C(c2ccccc2)N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone?
The InChIKey is WZROBSSPDWAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-24(2)21(18-10-6-4-7-11-18)23(26)25-16-14-20(15-17-25)22(27-3)19-12-8-5-9-13-19/h4-13,20-22H,14-17H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone?
2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone has a molecular weight of 366.51 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110607741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).