2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid

C13H20N4O3 — CID 106215532

IUPAC2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCC(NC(=O)N1CCC(CC(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C13H20N4O3/c1-9(11-7-14-15-8-11)16-13(20)17-4-2-10(3-5-17)6-12(18)19/h7-10H,2-6H2,1H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyOGRAOVPIFGOXSR-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.37
Rot. Bonds4

About 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid

2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid (PubChem CID 106215532) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
PubChem CID106215532
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid
SMILESCC(NC(=O)N1CCC(CC(=O)O)CC1)c1cn[nH]c1
InChIInChI=1S/C13H20N4O3/c1-9(11-7-14-15-8-11)16-13(20)17-4-2-10(3-5-17)6-12(18)19/h7-10H,2-6H2,1H3,(H,14,15)(H,16,20)(H,18,19)
InChIKeyOGRAOVPIFGOXSR-UHFFFAOYSA-N
XLogP1.37
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 103856925
4-(3-methylimidazol-4-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 139018214
2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608340
2-[cyclopropylmethyl-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]amino]acetic acid
CID 113364523
4-methyl-1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-2-carboxylic acid
CID 106215711
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
2-[1-(1-ethylsulfanylpropan-2-ylcarbamoyl)piperidin-4-yl]acetic acid
CID 113499280
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
4-(2-amino-2-oxoethyl)-N-[1-(3,5-dimethylphenyl)ethyl]piperidine-1-carboxamide
CID 56783182
2-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114158369
4-(hydroxymethyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]piperidine-1-carboxamide
CID 110896098

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid (CID 106215532) is 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid is CC(NC(=O)N1CCC(CC(=O)O)CC1)c1cn[nH]c1.
What is the InChIKey of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is OGRAOVPIFGOXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(11-7-14-15-8-11)16-13(20)17-4-2-10(3-5-17)6-12(18)19/h7-10H,2-6H2,1H3,(H,14,15)(H,16,20)(H,18,19).
What are the key properties of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid?
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 106215532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).