1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid

C20H25N3O4 — CID 138038164

IUPAC1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCCOc1cccc(CCC(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C20H25N3O4/c1-2-27-18-5-3-4-15(12-18)6-7-19(24)22-10-8-17(9-11-22)23-14-16(13-21-23)20(25)26/h3-5,12-14,17H,2,6-11H2,1H3,(H,25,26)
InChIKeyGLEZTMWARGMVNS-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.78
Rot. Bonds7

About 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid

1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 138038164) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID138038164
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCCOc1cccc(CCC(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)c1
InChIInChI=1S/C20H25N3O4/c1-2-27-18-5-3-4-15(12-18)6-7-19(24)22-10-8-17(9-11-22)23-14-16(13-21-23)20(25)26/h3-5,12-14,17H,2,6-11H2,1H3,(H,25,26)
InChIKeyGLEZTMWARGMVNS-UHFFFAOYSA-N
XLogP2.78
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110721211
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536925
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
CID 94265809
1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469400
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
3-(3-phenoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83951681
ethane;1-[4-(4-propanoylpyrazol-1-yl)piperidin-1-yl]undecan-1-one
CID 177358601
1-[2-(3-ethoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007190
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid (CID 138038164) is 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid is CCOc1cccc(CCC(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)c1.
What is the InChIKey of 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is GLEZTMWARGMVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-2-27-18-5-3-4-15(12-18)6-7-19(24)22-10-8-17(9-11-22)23-14-16(13-21-23)20(25)26/h3-5,12-14,17H,2,6-11H2,1H3,(H,25,26).
What are the key properties of 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid?
1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 138038164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).