2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

C17H22N4O3 — CID 126430435

IUPAC2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCOc1cccnc1CN1CCC[C@H](c2ccnn2CC(=O)O)C1
InChIInChI=1S/C17H22N4O3/c1-24-16-5-2-7-18-14(16)11-20-9-3-4-13(10-20)15-6-8-19-21(15)12-17(22)23/h2,5-8,13H,3-4,9-12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeySJZXMMCDYCPIIC-ZDUSSCGKSA-N
MW330.39 g/mol
LogP1.75
Rot. Bonds6

About 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126430435) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID126430435
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCOc1cccnc1CN1CCC[C@H](c2ccnn2CC(=O)O)C1
InChIInChI=1S/C17H22N4O3/c1-24-16-5-2-7-18-14(16)11-20-9-3-4-13(10-20)15-6-8-19-21(15)12-17(22)23/h2,5-8,13H,3-4,9-12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeySJZXMMCDYCPIIC-ZDUSSCGKSA-N
XLogP1.75
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119062506
2-[5-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119070248
2-[5-[1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119074186
2-[5-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126424382
2-[5-[(3S)-1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126444419
2-[5-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126446758
6-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]pyridine-2-carboxylic acid
CID 126427464
2-[5-[(3R)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126447477
2-[5-[1-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119061839
2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 119061142
2-[5-[(3R)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432836
2-[5-[(3S)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429526

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126430435) is 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is COc1cccnc1CN1CCC[C@H](c2ccnn2CC(=O)O)C1.
What is the InChIKey of 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is SJZXMMCDYCPIIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-24-16-5-2-7-18-14(16)11-20-9-3-4-13(10-20)15-6-8-19-21(15)12-17(22)23/h2,5-8,13H,3-4,9-12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 330.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3S)-1-[(3-methoxy-2-pyridinyl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126430435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).