2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

C16H22N2O3 — CID 61191743

IUPAC2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CC(C)CN(C(=O)Nc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)10-18(9-11)16(21)17-14-5-3-13(4-6-14)8-15(19)20/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFAJDSIGROMXQKA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid

2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (PubChem CID 61191743) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
PubChem CID61191743
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
SMILESCC1CC(C)CN(C(=O)Nc2ccc(CC(=O)O)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)10-18(9-11)16(21)17-14-5-3-13(4-6-14)8-15(19)20/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyFAJDSIGROMXQKA-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276
2-[4-[(3-hydroxypyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 62941390
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145
2-[4-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]phenyl]acetic acid
CID 61200700
(3S,5S)-3,5-dimethyl-N-(4-sulfamoylphenyl)piperidine-1-carboxamide
CID 40794398
3-[4-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340995
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102019
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid (CID 61191743) is 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is CC1CC(C)CN(C(=O)Nc2ccc(CC(=O)O)cc2)C1.
What is the InChIKey of 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
The InChIKey is FAJDSIGROMXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-12(2)10-18(9-11)16(21)17-14-5-3-13(4-6-14)8-15(19)20/h3-6,11-12H,7-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid?
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 61191743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).