1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid

C16H22N2O3 — CID 62657444

IUPAC1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-12-5-3-4-6-14(12)17(2)11-15(19)18-9-7-13(8-10-18)16(20)21/h3-6,13H,7-11H2,1-2H3,(H,20,21)
InChIKeyMEVNETUIEXMPAJ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.75
Rot. Bonds4

About 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid

1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid (PubChem CID 62657444) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
PubChem CID62657444
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
SMILESCc1ccccc1N(C)CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-12-5-3-4-6-14(12)17(2)11-15(19)18-9-7-13(8-10-18)16(20)21/h3-6,13H,7-11H2,1-2H3,(H,20,21)
InChIKeyMEVNETUIEXMPAJ-UHFFFAOYSA-N
XLogP1.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032105
1-[2-(4-fluoro-N-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657443
1-[2-[methyl-[4-(2-methylphenoxy)butanoyl]amino]acetyl]piperidine-4-carboxylic acid
CID 119236349
1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]piperidine-4-carboxylic acid
CID 156620036
1-[2-[(5-bromo-2-methylbenzoyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236165
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
1-[2-(N-methylanilino)acetyl]piperidine-4-carbohydrazide
CID 63568830
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
1-[2-[furan-2-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 43354178
1-[2-[methyl-[2-(2,4,6-trimethylphenyl)acetyl]amino]acetyl]piperidine-4-carboxylic acid
CID 120525461
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid (CID 62657444) is 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid is Cc1ccccc1N(C)CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is MEVNETUIEXMPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-3-4-6-14(12)17(2)11-15(19)18-9-7-13(8-10-18)16(20)21/h3-6,13H,7-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid?
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62657444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).