2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid

C11H15N3O2 — CID 62690962

IUPAC2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H15N3O2/c15-10(16)7-9-3-1-6-14(8-9)11-12-4-2-5-13-11/h2,4-5,9H,1,3,6-8H2,(H,15,16)
InChIKeyAZVSGQFMPJDYSP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.17
Rot. Bonds3

About 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid

2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid (PubChem CID 62690962) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
PubChem CID62690962
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
SMILESO=C(O)CC1CCCN(c2ncccn2)C1
InChIInChI=1S/C11H15N3O2/c15-10(16)7-9-3-1-6-14(8-9)11-12-4-2-5-13-11/h2,4-5,9H,1,3,6-8H2,(H,15,16)
InChIKeyAZVSGQFMPJDYSP-UHFFFAOYSA-N
XLogP1.17
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
2-(1-pyridin-2-ylpyrrolidin-3-yl)acetic acid
CID 66880578
2-(1-pyrimidin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879902
2-[(1-pyrimidin-2-ylpiperidin-3-yl)sulfamoyl]acetic acid
CID 43715625
2-[1-(2,3,4,5,6-pentafluorophenyl)piperidin-3-yl]acetic acid
CID 62691305
N-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]cyclohexyl]acetamide
CID 99715561
2-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]acetamide
CID 133355987
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid
CID 113320477

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid?
The IUPAC name of 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid (CID 62690962) is 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid is O=C(O)CC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid?
The InChIKey is AZVSGQFMPJDYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10(16)7-9-3-1-6-14(8-9)11-12-4-2-5-13-11/h2,4-5,9H,1,3,6-8H2,(H,15,16).
What are the key properties of 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid?
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid has a molecular weight of 221.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid is sourced from PubChem (CID 62690962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).