3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one

C25H34N2O3 — CID 90616391

IUPAC3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C25H34N2O3/c1-29-21-13-17-26(18-14-21)20-11-15-27(16-12-20)25(28)10-8-23-22-6-4-3-5-19(22)7-9-24(23)30-2/h3-7,9,20-21H,8,10-18H2,1-2H3
InChIKeyXWQVBSNPKWRMDT-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.88
Rot. Bonds6

About 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one

3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 90616391) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
PubChem CID90616391
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(N2CCC(OC)CC2)CC1
InChIInChI=1S/C25H34N2O3/c1-29-21-13-17-26(18-14-21)20-11-15-27(16-12-20)25(28)10-8-23-22-6-4-3-5-19(22)7-9-24(23)30-2/h3-7,9,20-21H,8,10-18H2,1-2H3
InChIKeyXWQVBSNPKWRMDT-UHFFFAOYSA-N
XLogP3.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164888
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160307
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121186934
3-(2-bromophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616380
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 90586658
1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121164374
2-(2-chlorophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616293
[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-naphthalen-1-ylmethanone
CID 122243216
2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616344
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 18456289
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]-3-(2,4,6-trimethoxyphenyl)propan-1-one
CID 90617741

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one (CID 90616391) is 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one is COc1ccc2ccccc2c1CCC(=O)N1CCC(N2CCC(OC)CC2)CC1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is XWQVBSNPKWRMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-29-21-13-17-26(18-14-21)20-11-15-27(16-12-20)25(28)10-8-23-22-6-4-3-5-19(22)7-9-24(23)30-2/h3-7,9,20-21H,8,10-18H2,1-2H3.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one?
3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 410.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 90616391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).