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

C15H20N2O3 — CID 65345847

IUPAC2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CCN(C(=O)Nc2cccc(CC(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-11-5-7-17(8-6-11)15(20)16-13-4-2-3-12(9-13)10-14(18)19/h2-4,9,11H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyUTBZXXIBIUKCKX-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.58
Rot. Bonds3

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

2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 65345847) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID65345847
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CCN(C(=O)Nc2cccc(CC(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O3/c1-11-5-7-17(8-6-11)15(20)16-13-4-2-3-12(9-13)10-14(18)19/h2-4,9,11H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyUTBZXXIBIUKCKX-UHFFFAOYSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(4-methylazepane-1-carbonyl)amino]phenyl]acetic acid
CID 65350325
2-[3-[(2,4-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65350132
4-methyl-N-[3-(propylaminomethyl)phenyl]piperidine-1-carboxamide
CID 106911651
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-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
2-[3-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]phenyl]acetic acid
CID 102783225
4-methyl-N-[3-(sulfamoylamino)phenyl]piperidine-1-carboxamide
CID 79158927
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid (CID 65345847) is 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid is CC1CCN(C(=O)Nc2cccc(CC(=O)O)c2)CC1.
What is the InChIKey of 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is UTBZXXIBIUKCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-7-17(8-6-11)15(20)16-13-4-2-3-12(9-13)10-14(18)19/h2-4,9,11H,5-8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65345847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).