1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C13H20N4O3 — CID 106106000

IUPAC1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCn1ccc(CCNC(=O)N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N4O3/c1-16-7-5-11(15-16)2-6-14-13(20)17-8-3-10(4-9-17)12(18)19/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyBNHYOKFRFJBZFL-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.47
Rot. Bonds4

About 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 106106000) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID106106000
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCn1ccc(CCNC(=O)N2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C13H20N4O3/c1-16-7-5-11(15-16)2-6-14-13(20)17-8-3-10(4-9-17)12(18)19/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,20)(H,18,19)
InChIKeyBNHYOKFRFJBZFL-UHFFFAOYSA-N
XLogP0.47
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 80688595
2-[4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]morpholin-2-yl]acetic acid
CID 106105976
3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106105963
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
3-[1-[(1-methylpyrazol-3-yl)methylcarbamoyl]piperidin-4-yl]propanoic acid
CID 82873510
1-[2-(1H-imidazol-5-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 65231437
4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
1-[2-(2-methoxy-3-pyridinyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122014852
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
5-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 106106166
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 106106000) is 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is Cn1ccc(CCNC(=O)N2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BNHYOKFRFJBZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16-7-5-11(15-16)2-6-14-13(20)17-8-3-10(4-9-17)12(18)19/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106106000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).