1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone

C26H28N2O2 — CID 3570393

IUPAC1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
SMILESCOc1cccc(NC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H28N2O2/c1-30-24-14-8-13-23(19-24)27-22-15-17-28(18-16-22)26(29)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,22,25,27H,15-18H2,1H3
InChIKeyHBYVZTGSBJSPNE-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.93
Rot. Bonds6

About 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone

1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone (PubChem CID 3570393) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
PubChem CID3570393
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone
SMILESCOc1cccc(NC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H28N2O2/c1-30-24-14-8-13-23(19-24)27-22-15-17-28(18-16-22)26(29)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,22,25,27H,15-18H2,1H3
InChIKeyHBYVZTGSBJSPNE-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
(2-fluoro-6-hydroxyphenyl)-[4-(3-methoxyanilino)piperidin-1-yl]methanone
CID 100616310
tert-butyl 4-(3-methoxyanilino)azepane-1-carboxylate
CID 103980589
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-[4-[3-(2-methoxyethoxy)anilino]piperidin-1-yl]ethanone
CID 60936422
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
4-[3-(difluoromethoxy)anilino]piperidine-1-carboxamide
CID 43783712
3-anilino-N-[(4-methoxyphenyl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 86903980
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555568

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone (CID 3570393) is 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone is COc1cccc(NC2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is HBYVZTGSBJSPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-30-24-14-8-13-23(19-24)27-22-15-17-28(18-16-22)26(29)25(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,22,25,27H,15-18H2,1H3.
What are the key properties of 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone?
1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 400.52 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyanilino)piperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 3570393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).