1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid

C15H21N3O3 — CID 138031553

IUPAC1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(C(=O)C3(C)CC3)C2)cn1
InChIInChI=1S/C15H21N3O3/c1-15(3-4-15)14(21)18-8-10(5-11(9-18)13(19)20)12-6-16-17(2)7-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyXLNAENTXGDOEGX-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.24
Rot. Bonds3

About 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid

1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid (PubChem CID 138031553) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
PubChem CID138031553
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
SMILESCn1cc(C2CC(C(=O)O)CN(C(=O)C3(C)CC3)C2)cn1
InChIInChI=1S/C15H21N3O3/c1-15(3-4-15)14(21)18-8-10(5-11(9-18)13(19)20)12-6-16-17(2)7-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,20)
InChIKeyXLNAENTXGDOEGX-UHFFFAOYSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylpyrazol-4-yl)-1-(oxolane-2-carbonyl)piperidine-3-carboxylic acid
CID 146137397
5-(1-methylpyrazol-4-yl)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-3-carboxylic acid
CID 146137403
1-(cyclopent-2-en-1-ylmethylcarbamoyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid
CID 139020191
5-(1-methylpyrazol-4-yl)-1-(2-pyrazolo[1,5-a]pyridin-3-ylacetyl)piperidine-3-carboxylic acid
CID 139020267
5-(1-methylpyrazol-4-yl)-1-(5-phenylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 167898509
1-[(3S,4R)-3-(hydroxymethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 167928688
2-(1-methylpyrazol-4-yl)cyclobutane-1-carboxylic acid
CID 81009464
3-(1-methylpyrazol-4-yl)-N-[1-(trifluoromethyl)cyclohexyl]pyrrolidine-1-carboxamide
CID 136564061
(3-hydroxy-3-methylcyclobutyl)-[(6R)-6-(1-methylpyrazol-4-yl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699497
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294
N-[(1-cyclobutylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 128633676
1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid (CID 138031553) is 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid is Cn1cc(C2CC(C(=O)O)CN(C(=O)C3(C)CC3)C2)cn1.
What is the InChIKey of 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
The InChIKey is XLNAENTXGDOEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(3-4-15)14(21)18-8-10(5-11(9-18)13(19)20)12-6-16-17(2)7-12/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid?
1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropanecarbonyl)-5-(1-methylpyrazol-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 138031553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).