2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

C16H22N2O3 — CID 65350132

IUPAC2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CCN(C(=O)Nc2cccc(CC(=O)O)c2)C(C)C1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-18(12(2)8-11)16(21)17-14-5-3-4-13(9-14)10-15(19)20/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyPNNRLSCQFLOAES-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.97
Rot. Bonds3

About 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 65350132) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID65350132
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CCN(C(=O)Nc2cccc(CC(=O)O)c2)C(C)C1
InChIInChI=1S/C16H22N2O3/c1-11-6-7-18(12(2)8-11)16(21)17-14-5-3-4-13(9-14)10-15(19)20/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyPNNRLSCQFLOAES-UHFFFAOYSA-N
XLogP2.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
2-[3-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]phenyl]acetic acid
CID 102783225
2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
3-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340504
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119351587
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
2-[4-[(2,4-dimethylpiperidine-1-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 62330404
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-(aminomethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 103441332
4-amino-N-(3-fluorophenyl)-2-methylpiperidine-1-carboxamide
CID 115312295

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (CID 65350132) is 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is CC1CCN(C(=O)Nc2cccc(CC(=O)O)c2)C(C)C1.
What is the InChIKey of 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is PNNRLSCQFLOAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-6-7-18(12(2)8-11)16(21)17-14-5-3-4-13(9-14)10-15(19)20/h3-5,9,11-12H,6-8,10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65350132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).