1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C18H22N4O3 — CID 122092570

IUPAC1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H22N4O3/c1-12-5-6-13(16-7-8-19-21(16)2)10-15(12)20-18(25)22-9-3-4-14(11-22)17(23)24/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyHICBAKDTMNSEAZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.72
Rot. Bonds3

About 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122092570) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122092570
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H22N4O3/c1-12-5-6-13(16-7-8-19-21(16)2)10-15(12)20-18(25)22-9-3-4-14(11-22)17(23)24/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,20,25)(H,23,24)
InChIKeyHICBAKDTMNSEAZ-UHFFFAOYSA-N
XLogP2.72
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092567
3-methyl-1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092574
4-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033887
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
CID 125140861
1-[(1-methyl-5-phenylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122093530
1-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086313
(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 95298396
(2S,3S)-3-methyl-N-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 136586352
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
1-[(5-methoxycarbonyl-2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074107
5-methyl-1-[(2-methyl-5-pyridin-3-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122103026

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122092570) is 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(-c2ccnn2C)cc1NC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HICBAKDTMNSEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-5-6-13(16-7-8-19-21(16)2)10-15(12)20-18(25)22-9-3-4-14(11-22)17(23)24/h5-8,10,14H,3-4,9,11H2,1-2H3,(H,20,25)(H,23,24).
What are the key properties of 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 342.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122092570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).