2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid

C15H20N2O4 — CID 102962941

IUPAC2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
SMILESCOC1CCCN(C(=O)N(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-21-13-8-5-9-16(10-13)15(20)17(11-14(18)19)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,19)
InChIKeyZDGOTVLRHKYOKA-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.81
Rot. Bonds4

About 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid

2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid (PubChem CID 102962941) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
PubChem CID102962941
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid
SMILESCOC1CCCN(C(=O)N(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H20N2O4/c1-21-13-8-5-9-16(10-13)15(20)17(11-14(18)19)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,19)
InChIKeyZDGOTVLRHKYOKA-UHFFFAOYSA-N
XLogP1.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(3-methoxypyrrolidine-1-carbonyl)-4-methylanilino)acetic acid
CID 103536092
2-(N-(3-hydroxypyrrolidine-1-carbonyl)anilino)acetic acid
CID 55132152
2-(4-chloro-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 61186885
2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 103932666
1-[ethyl(phenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318507
2-(2-amino-N-(3-methylpiperidine-1-carbonyl)anilino)acetic acid
CID 79158200
(2R)-2-amino-1-[(3S)-3-methoxypiperidin-1-yl]-3-phenylpropan-1-one
CID 124590633
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
2-amino-1-(3-methoxypiperidin-1-yl)-2-phenylpropan-1-one
CID 102957634
4-[(3S)-3-methoxypiperidin-1-yl]-4-oxobutanoic acid
CID 129412716
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 102962888
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid (CID 102962941) is 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid is COC1CCCN(C(=O)N(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid?
The InChIKey is ZDGOTVLRHKYOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-8-5-9-16(10-13)15(20)17(11-14(18)19)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,18,19).
What are the key properties of 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid?
2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-methoxypiperidine-1-carbonyl)anilino)acetic acid is sourced from PubChem (CID 102962941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).