2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid

C14H19N3O3 — CID 62689961

IUPAC2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C14H19N3O3/c18-13(19)8-11-4-3-7-17(10-11)14(20)16-9-12-5-1-2-6-15-12/h1-2,5-6,11H,3-4,7-10H2,(H,16,20)(H,18,19)
InChIKeyHEXZEGPJQQHCBE-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid

2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid (PubChem CID 62689961) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
PubChem CID62689961
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C14H19N3O3/c18-13(19)8-11-4-3-7-17(10-11)14(20)16-9-12-5-1-2-6-15-12/h1-2,5-6,11H,3-4,7-10H2,(H,16,20)(H,18,19)
InChIKeyHEXZEGPJQQHCBE-UHFFFAOYSA-N
XLogP1.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(6-methyl-2-pyridinyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62675042
2-[1-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 146133775
2-[1-(pyridin-3-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691175
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
(3R)-3-anilino-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95150905
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163
N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
CID 128771647
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 95309440
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
CID 106813448
(3S)-1-N-(pyridin-2-ylmethyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 94656232
4-(2-hydroxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 134056810

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid (CID 62689961) is 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NCc2ccccn2)C1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
The InChIKey is HEXZEGPJQQHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)8-11-4-3-7-17(10-11)14(20)16-9-12-5-1-2-6-15-12/h1-2,5-6,11H,3-4,7-10H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid?
2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62689961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).