2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid

C16H22N2O3 — CID 51674289

IUPAC2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
SMILESC[C@H]1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-13-6-5-9-17(10-13)15(19)11-18(12-16(20)21)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyOPVNECQVFSMLKB-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.84
Rot. Bonds5

About 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid

2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid (PubChem CID 51674289) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
PubChem CID51674289
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
SMILESC[C@H]1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-13-6-5-9-17(10-13)15(19)11-18(12-16(20)21)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyOPVNECQVFSMLKB-ZDUSSCGKSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-benzylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032883
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934
1-(3-methylpyrrolidin-1-yl)-2-[N-(pyridin-3-ylmethyl)anilino]ethanone
CID 86971794
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
N-(2-ethylphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113169094
2-(benzenesulfonyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 58395167
2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 79158200
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257704
N-(3-methoxyphenyl)-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173376

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid (CID 51674289) is 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid is C[C@H]1CCCN(C(=O)CN(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid?
The InChIKey is OPVNECQVFSMLKB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13-6-5-9-17(10-13)15(19)11-18(12-16(20)21)14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid?
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 51674289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).