2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid

C11H14ClN3O3 — CID 126441361

IUPAC2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)c1[nH]ncc1Cl
InChIInChI=1S/C11H14ClN3O3/c12-8-6-13-14-10(8)11(18)15-4-2-1-3-7(15)5-9(16)17/h6-7H,1-5H2,(H,13,14)(H,16,17)/t7-/m1/s1
InChIKeyUTMSWVGILDXQHB-SSDOTTSWSA-N
MW271.70 g/mol
LogP1.53
Rot. Bonds3

About 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid

2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 126441361) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid
PubChem CID126441361
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCCN1C(=O)c1[nH]ncc1Cl
InChIInChI=1S/C11H14ClN3O3/c12-8-6-13-14-10(8)11(18)15-4-2-1-3-7(15)5-9(16)17/h6-7H,1-5H2,(H,13,14)(H,16,17)/t7-/m1/s1
InChIKeyUTMSWVGILDXQHB-SSDOTTSWSA-N
XLogP1.53
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid
CID 54899806
2-[1-(4-chloro-2-hydroxybenzoyl)piperidin-2-yl]acetic acid
CID 61010246
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712
2-[1-(2,4-dichlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372414
2-[(2S)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-2-yl]acetic acid
CID 126437661
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61370095
2-[1-(1H-1,2,4-triazol-5-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 64525703
2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899664
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
2-[1-(4-chloropyridine-2-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370686

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid (CID 126441361) is 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid is O=C(O)C[C@H]1CCCCN1C(=O)c1[nH]ncc1Cl.
What is the InChIKey of 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is UTMSWVGILDXQHB-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-8-6-13-14-10(8)11(18)15-4-2-1-3-7(15)5-9(16)17/h6-7H,1-5H2,(H,13,14)(H,16,17)/t7-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid?
2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 271.70 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-chloro-1H-pyrazole-5-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 126441361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).