3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

C22H30N4O3 — CID 131934663

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1C
InChIInChI=1S/C22H30N4O3/c1-15-22(17(3)27)16(2)26(24-15)14-11-21(28)23-18-5-7-19(8-6-18)29-20-9-12-25(4)13-10-20/h5-8,20H,9-14H2,1-4H3,(H,23,28)
InChIKeyZKRQUHYRMZTGBV-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.20
Rot. Bonds7

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (PubChem CID 131934663) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
PubChem CID131934663
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1C
InChIInChI=1S/C22H30N4O3/c1-15-22(17(3)27)16(2)26(24-15)14-11-21(28)23-18-5-7-19(8-6-18)29-20-9-12-25(4)13-10-20/h5-8,20H,9-14H2,1-4H3,(H,23,28)
InChIKeyZKRQUHYRMZTGBV-UHFFFAOYSA-N
XLogP3.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131901818
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
3-(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 46345015
4-(2-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100627533
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;dihydrochloride
CID 154894158
4-(2-methoxy-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100758557
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 131905975
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (CID 131934663) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is CC(=O)c1c(C)nn(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The InChIKey is ZKRQUHYRMZTGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15-22(17(3)27)16(2)26(24-15)14-11-21(28)23-18-5-7-19(8-6-18)29-20-9-12-25(4)13-10-20/h5-8,20H,9-14H2,1-4H3,(H,23,28).
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide has a molecular weight of 398.51 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 131934663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).