4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid

C13H20N4O3 — CID 106215711

IUPAC4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC(C)c2cn[nH]c2)C(C(=O)O)C1
InChIInChI=1S/C13H20N4O3/c1-8-3-4-17(11(5-8)12(18)19)13(20)16-9(2)10-6-14-15-7-10/h6-9,11H,3-5H2,1-2H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyMNPMDIKFZWFUON-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.37
Rot. Bonds3

About 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (PubChem CID 106215711) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
PubChem CID106215711
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NC(C)c2cn[nH]c2)C(C(=O)O)C1
InChIInChI=1S/C13H20N4O3/c1-8-3-4-17(11(5-8)12(18)19)13(20)16-9(2)10-6-14-15-7-10/h6-9,11H,3-5H2,1-2H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyMNPMDIKFZWFUON-UHFFFAOYSA-N
XLogP1.37
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
CID 106215532
(2S,4R)-4-hydroxy-1-[1-(4-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63844244
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106215558
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
(2R,3S)-3-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 106208636
1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425643
1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
CID 102907114

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid (CID 106215711) is 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)NC(C)c2cn[nH]c2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
The InChIKey is MNPMDIKFZWFUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-3-4-17(11(5-8)12(18)19)13(20)16-9(2)10-6-14-15-7-10/h6-9,11H,3-5H2,1-2H3,(H,14,15)(H,16,20)(H,18,19).
What are the key properties of 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 106215711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).