2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid

C14H22N4O3 — CID 79612221

IUPAC2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-14(10(2)17-16-9)15-12(19)8-18-5-3-11(4-6-18)7-13(20)21/h11H,3-8H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)
InChIKeyMQLSIWHGGNAQMG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.15
Rot. Bonds5

About 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid

2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid (PubChem CID 79612221) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
PubChem CID79612221
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESCc1n[nH]c(C)c1NC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H22N4O3/c1-9-14(10(2)17-16-9)15-12(19)8-18-5-3-11(4-6-18)7-13(20)21/h11H,3-8H2,1-2H3,(H,15,19)(H,16,17)(H,20,21)
InChIKeyMQLSIWHGGNAQMG-UHFFFAOYSA-N
XLogP1.15
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid (CID 79612221) is 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid is Cc1n[nH]c(C)c1NC(=O)CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid?
The InChIKey is MQLSIWHGGNAQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9-14(10(2)17-16-9)15-12(19)8-18-5-3-11(4-6-18)7-13(20)21/h11H,3-8H2,1-2H3,(H,15,19)(H,16,17)(H,20,21).
What are the key properties of 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid?
2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79612221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).