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

C15H21N3O3 — CID 106813448

IUPAC2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C15H21N3O3/c19-14(8-13-5-1-2-6-17-13)18-7-3-4-12(11-18)9-16-10-15(20)21/h1-2,5-6,12,16H,3-4,7-11H2,(H,20,21)
InChIKeyASYWTFLWDWSGKZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.54
Rot. Bonds6

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

2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106813448) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106813448
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(C(=O)Cc2ccccn2)C1
InChIInChI=1S/C15H21N3O3/c19-14(8-13-5-1-2-6-17-13)18-7-3-4-12(11-18)9-16-10-15(20)21/h1-2,5-6,12,16H,3-4,7-11H2,(H,20,21)
InChIKeyASYWTFLWDWSGKZ-UHFFFAOYSA-N
XLogP0.54
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
2-[1-(pyridin-2-ylmethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62689961
2,3-dimethoxy-N-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methyl]benzamide
CID 45212677
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 99973517
1-[(3S)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 97269070
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 124995445

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid (CID 106813448) is 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(C(=O)Cc2ccccn2)C1.
What is the InChIKey of 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is ASYWTFLWDWSGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(8-13-5-1-2-6-17-13)18-7-3-4-12(11-18)9-16-10-15(20)21/h1-2,5-6,12,16H,3-4,7-11H2,(H,20,21).
What are the key properties of 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106813448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).