2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid

C16H19N3O2 — CID 61009168

IUPAC2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid
SMILESCc1nnc(N2CCCCC2CC(=O)O)c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-11-13-7-2-3-8-14(13)16(18-17-11)19-9-5-4-6-12(19)10-15(20)21/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,20,21)
InChIKeyZAOKYDONWTUZEO-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.77
Rot. Bonds3

About 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid

2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid (PubChem CID 61009168) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid
PubChem CID61009168
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid
SMILESCc1nnc(N2CCCCC2CC(=O)O)c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-11-13-7-2-3-8-14(13)16(18-17-11)19-9-5-4-6-12(19)10-15(20)21/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,20,21)
InChIKeyZAOKYDONWTUZEO-UHFFFAOYSA-N
XLogP2.77
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]ethanamine
CID 63767576
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-(6-ethylpyridazin-3-yl)piperidin-2-yl]acetic acid
CID 116972319
2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
CID 104729407
2-[1-(3-carbamoyl-2,6-dimethyl-4-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 81050331
2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
CID 61009837
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
2-[1-(2-hydroxy-2-phenylpropyl)piperidin-2-yl]acetic acid
CID 62373379
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149
2-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-2-yl]acetic acid
CID 115972951
1-[2-(hydroxymethyl)piperidin-1-yl]isoquinoline-3-carboxylic acid
CID 61407165
2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31921028

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid (CID 61009168) is 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid is Cc1nnc(N2CCCCC2CC(=O)O)c2ccccc12.
What is the InChIKey of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid?
The InChIKey is ZAOKYDONWTUZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-13-7-2-3-8-14(13)16(18-17-11)19-9-5-4-6-12(19)10-15(20)21/h2-3,7-8,12H,4-6,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid?
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid has a molecular weight of 285.35 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).