1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid

C17H22N2O5 — CID 122117490

IUPAC1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cccc(C(=O)NCC(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C17H22N2O5/c1-11-6-13(17(22)23)10-19(9-11)15(20)8-18-16(21)12-4-3-5-14(7-12)24-2/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyVILNSHCUOQMIBN-UHFFFAOYSA-N
MW334.37 g/mol
LogP0.99
Rot. Bonds5

About 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid

1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122117490) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122117490
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1cccc(C(=O)NCC(=O)N2CC(C)CC(C(=O)O)C2)c1
InChIInChI=1S/C17H22N2O5/c1-11-6-13(17(22)23)10-19(9-11)15(20)8-18-16(21)12-4-3-5-14(7-12)24-2/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,18,21)(H,22,23)
InChIKeyVILNSHCUOQMIBN-UHFFFAOYSA-N
XLogP0.99
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-chlorobenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117429
3-methoxy-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112995627
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 121154782
5-methyl-1-[2-[(3-methyl-4-nitrobenzoyl)amino]acetyl]piperidine-3-carboxylic acid
CID 122117427
3-methoxy-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 90586455
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51161913
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
N-[2-[3-(4-chlorophenyl)sulfonylazetidin-1-yl]-2-oxoethyl]-3-methoxybenzamide
CID 90594984
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methoxybenzamide
CID 110370967
3-methoxy-N-[2-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90616430
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid (CID 122117490) is 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid is COc1cccc(C(=O)NCC(=O)N2CC(C)CC(C(=O)O)C2)c1.
What is the InChIKey of 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is VILNSHCUOQMIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11-6-13(17(22)23)10-19(9-11)15(20)8-18-16(21)12-4-3-5-14(7-12)24-2/h3-5,7,11,13H,6,8-10H2,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122117490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).