2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

C19H22N4O4 — CID 126439207

IUPAC2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H22N4O4/c24-17(11-20-19(27)14-5-2-1-3-6-14)22-10-4-7-15(12-22)16-8-9-21-23(16)13-18(25)26/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,20,27)(H,25,26)/t15-/m1/s1
InChIKeyAMJBPIJKFFVPMG-OAHLLOKOSA-N
MW370.41 g/mol
LogP1.10
Rot. Bonds6

About 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126439207) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID126439207
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1
InChIInChI=1S/C19H22N4O4/c24-17(11-20-19(27)14-5-2-1-3-6-14)22-10-4-7-15(12-22)16-8-9-21-23(16)13-18(25)26/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,20,27)(H,25,26)/t15-/m1/s1
InChIKeyAMJBPIJKFFVPMG-OAHLLOKOSA-N
XLogP1.10
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(3S)-1-(2-indol-1-ylacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429492
2-[5-[1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119071390
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
2-[5-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126426374
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
N-[2-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 126434627
2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126454332
2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126448346
N-[2-[3-(aminomethyl)piperidin-1-yl]-2-oxoethyl]benzamide;hydrochloride
CID 119465004
2-[5-[(3R)-1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126438361
2-[5-[(3S)-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126434624
2-[5-[(3S)-1-[3-(3,4-difluorophenyl)propanoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126438360

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126439207) is 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)CNC(=O)c2ccccc2)C1.
What is the InChIKey of 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is AMJBPIJKFFVPMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O4/c24-17(11-20-19(27)14-5-2-1-3-6-14)22-10-4-7-15(12-22)16-8-9-21-23(16)13-18(25)26/h1-3,5-6,8-9,15H,4,7,10-13H2,(H,20,27)(H,25,26)/t15-/m1/s1.
What are the key properties of 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 370.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126439207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).