1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid

C16H22N2O3 — CID 82163375

IUPAC1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)NCN2CCC(C(=O)O)CC2)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-3-4-14(9-12(11)2)15(19)17-10-18-7-5-13(6-8-18)16(20)21/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyJQFPEGRAFSGDQT-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.79
Rot. Bonds4

About 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid

1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid (PubChem CID 82163375) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
PubChem CID82163375
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(=O)NCN2CCC(C(=O)O)CC2)cc1C
InChIInChI=1S/C16H22N2O3/c1-11-3-4-14(9-12(11)2)15(19)17-10-18-7-5-13(6-8-18)16(20)21/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyJQFPEGRAFSGDQT-UHFFFAOYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3,4-dimethoxybenzoyl)amino]methyl]piperidine-4-carboxylic acid
CID 94778325
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
1-[4-(3,4-dimethylphenyl)-4-oxobutan-2-yl]piperidine-4-carboxylic acid
CID 82065311
trans-(1S,2R)-2-[[(3,4-dimethylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 108732317
1-[(furan-2-carbonylamino)methyl]piperidine-4-carboxylic acid
CID 82163363
1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxylic acid
CID 82214306
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
3,4-dimethyl-N-(2-oxoethyl)benzamide;methyl 1-methylpiperidine-4-carboxylate
CID 142520951
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]piperidine-4-carboxylic acid
CID 82163378
1-[2-(3,4-dimethylphenyl)sulfanylethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907692
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208

Frequently Asked Questions

What is the IUPAC name of 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid (CID 82163375) is 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid is Cc1ccc(C(=O)NCN2CCC(C(=O)O)CC2)cc1C.
What is the InChIKey of 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid?
The InChIKey is JQFPEGRAFSGDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-3-4-14(9-12(11)2)15(19)17-10-18-7-5-13(6-8-18)16(20)21/h3-4,9,13H,5-8,10H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid?
1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3,4-dimethylbenzoyl)amino]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82163375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).