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

C14H18N2O3 — CID 54899853

IUPAC2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cc1ccncc1
InChIInChI=1S/C14H18N2O3/c17-13(9-11-4-6-15-7-5-11)16-8-2-1-3-12(16)10-14(18)19/h4-7,12H,1-3,8-10H2,(H,18,19)
InChIKeyMRMRIFZUOCUIGO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds4

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

2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid (PubChem CID 54899853) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
PubChem CID54899853
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cc1ccncc1
InChIInChI=1S/C14H18N2O3/c17-13(9-11-4-6-15-7-5-11)16-8-2-1-3-12(16)10-14(18)19/h4-7,12H,1-3,8-10H2,(H,18,19)
InChIKeyMRMRIFZUOCUIGO-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-4-ylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61196830
1-[2-(3-methoxypropyl)piperidin-1-yl]-2-pyridin-4-ylethanone
CID 131906931
2-[1-(3-pyridin-3-ylpropanoyl)piperidin-2-yl]acetic acid
CID 61009259
2-[1-[2-(3-methoxyphenyl)acetyl]piperidin-2-yl]acetic acid
CID 61009136
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
1-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 129480937
2-[1-[2-(3-chlorophenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 62505452
1-[(2S)-2-methylpiperidin-1-yl]-2-(4-pyridin-4-ylphenyl)ethanone
CID 176809674
2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
1-[(2S)-2-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 124615927

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid (CID 54899853) is 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Cc1ccncc1.
What is the InChIKey of 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid?
The InChIKey is MRMRIFZUOCUIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(9-11-4-6-15-7-5-11)16-8-2-1-3-12(16)10-14(18)19/h4-7,12H,1-3,8-10H2,(H,18,19).
What are the key properties of 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid?
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).