1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C13H20N4O3 — CID 63123727

IUPAC1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCn1cc(NC(=O)N2CCC(C)(C(=O)O)CC2)cn1
InChIInChI=1S/C13H20N4O3/c1-3-17-9-10(8-14-17)15-12(20)16-6-4-13(2,5-7-16)11(18)19/h8-9H,3-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKZEQKEZLZLDKKT-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.62
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123727) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123727
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCCn1cc(NC(=O)N2CCC(C)(C(=O)O)CC2)cn1
InChIInChI=1S/C13H20N4O3/c1-3-17-9-10(8-14-17)15-12(20)16-6-4-13(2,5-7-16)11(18)19/h8-9H,3-7H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyKZEQKEZLZLDKKT-UHFFFAOYSA-N
XLogP1.62
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63162069
2-[4-[(4,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62931716
2-[4-[(4,4-dimethylazepane-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 65282174
N-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 71994414
1-[(1-ethylpyrazol-4-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163360
4-[(1-ethylpyrazol-4-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991438
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
1-amino-N-(1-ethylpyrazol-4-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119292190
1-(1-ethylpyrazol-4-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 146087715
1-[1-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65063880
1-[[1-(2,4-dimethylphenyl)pyrazol-4-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091062
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63123727) is 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is CCn1cc(NC(=O)N2CCC(C)(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is KZEQKEZLZLDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-17-9-10(8-14-17)15-12(20)16-6-4-13(2,5-7-16)11(18)19/h8-9H,3-7H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).