2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

C24H35N3O3 — CID 46096662

IUPAC2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(n3nc(C(C)C)cc3C(C)C)CC2)cc1OC
InChIInChI=1S/C24H35N3O3/c1-16(2)20-15-21(17(3)4)27(25-20)19-9-11-26(12-10-19)24(28)14-18-7-8-22(29-5)23(13-18)30-6/h7-8,13,15-17,19H,9-12,14H2,1-6H3
InChIKeyQAKNWXINYZKBGL-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.55
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone

2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 46096662) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID46096662
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCC(n3nc(C(C)C)cc3C(C)C)CC2)cc1OC
InChIInChI=1S/C24H35N3O3/c1-16(2)20-15-21(17(3)4)27(25-20)19-9-11-26(12-10-19)24(28)14-18-7-8-22(29-5)23(13-18)30-6/h7-8,13,15-17,19H,9-12,14H2,1-6H3
InChIKeyQAKNWXINYZKBGL-UHFFFAOYSA-N
XLogP4.55
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420365
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
4-[2-(3,4-dimethoxyphenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110812118
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108567341
2-(3,4-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289792
2-(3,4-dimethoxyphenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906661
1-(3-bromo-4-methylpiperidin-1-yl)-2-(3,4-dimethoxyphenyl)ethanone
CID 102962225
2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone
CID 110767571
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 119594342
4-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1H-pyridin-2-one
CID 138379727

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone (CID 46096662) is 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is COc1ccc(CC(=O)N2CCC(n3nc(C(C)C)cc3C(C)C)CC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is QAKNWXINYZKBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-16(2)20-15-21(17(3)4)27(25-20)19-9-11-26(12-10-19)24(28)14-18-7-8-22(29-5)23(13-18)30-6/h7-8,13,15-17,19H,9-12,14H2,1-6H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone?
2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 413.56 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[4-[3,5-di(propan-2-yl)pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 46096662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).