1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one

C26H35N3O2 — CID 90962928

IUPAC1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one
SMILESCOc1ccccc1C1CCN(C2(C)CC2(C)N(CC(C)=O)Cc2ccccn2)CC1
InChIInChI=1S/C26H35N3O2/c1-20(30)17-29(18-22-9-7-8-14-27-22)26(3)19-25(26,2)28-15-12-21(13-16-28)23-10-5-6-11-24(23)31-4/h5-11,14,21H,12-13,15-19H2,1-4H3
InChIKeyGAAFPBHDKQZIIL-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.28
Rot. Bonds8

About 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one

1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one (PubChem CID 90962928) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one.

Molecular Properties

Compound Name1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one
PubChem CID90962928
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one
SMILESCOc1ccccc1C1CCN(C2(C)CC2(C)N(CC(C)=O)Cc2ccccn2)CC1
InChIInChI=1S/C26H35N3O2/c1-20(30)17-29(18-22-9-7-8-14-27-22)26(3)19-25(26,2)28-15-12-21(13-16-28)23-10-5-6-11-24(23)31-4/h5-11,14,21H,12-13,15-19H2,1-4H3
InChIKeyGAAFPBHDKQZIIL-UHFFFAOYSA-N
XLogP4.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one with MolForge

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Related Compounds

N-ethyl-4-(2-methoxyphenyl)-1-piperazin-1-yl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 67625685
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
N-[2-[4-(2-methoxyphenyl)piperidin-1-yl]ethyl]-N-pyridin-2-yl-2-pyrrolidin-1-ylacetamide
CID 139834877
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124977259
1-[2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 110098246
2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperidin-1-yl]ethanone
CID 91786322
[2-[4-(2-methoxyphenyl)piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 134700249
N-[2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 15461957
N-[2-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 67628614
5-[3-(2-methoxyphenyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120689077
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110479648

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one?
The IUPAC name of 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one (CID 90962928) is 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one.
What is the SMILES notation for 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one?
The canonical SMILES for 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one is COc1ccccc1C1CCN(C2(C)CC2(C)N(CC(C)=O)Cc2ccccn2)CC1.
What is the InChIKey of 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one?
The InChIKey is GAAFPBHDKQZIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-20(30)17-29(18-22-9-7-8-14-27-22)26(3)19-25(26,2)28-15-12-21(13-16-28)23-10-5-6-11-24(23)31-4/h5-11,14,21H,12-13,15-19H2,1-4H3.
What are the key properties of 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one?
1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one has a molecular weight of 421.59 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[4-(2-methoxyphenyl)piperidin-1-yl]-1,2-dimethylcyclopropyl]-(pyridin-2-ylmethyl)amino]propan-2-one is sourced from PubChem (CID 90962928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).