3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid

C21H24N2O3 — CID 95063995

IUPAC3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-7-16(8-6-14)20(24)22-18-12-17(21(25)26)9-10-19(18)23-11-3-4-15(2)13-23/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,22,24)(H,25,26)/t15-/m1/s1
InChIKeyXFZUJTUPLZLXOK-OAHLLOKOSA-N
MW352.43 g/mol
LogP4.18
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid

3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid (PubChem CID 95063995) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
PubChem CID95063995
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-5-7-16(8-6-14)20(24)22-18-12-17(21(25)26)9-10-19(18)23-11-3-4-15(2)13-23/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,22,24)(H,25,26)/t15-/m1/s1
InChIKeyXFZUJTUPLZLXOK-OAHLLOKOSA-N
XLogP4.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methoxybenzoyl)amino]-4-(3-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146053716
5-[(4-methylbenzoyl)amino]-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083649
3-[(4-methylbenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285212
3-[(4-methylbenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052846
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-[2-amino-4-methyl-5-(3-methylpiperidin-1-yl)phenyl]-4-tert-butylbenzamide
CID 91683980
3-[(4-chlorobenzoyl)amino]-4-[(3R)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 95064002
3-[(4-bromobenzoyl)amino]-4-[(3R)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 95064070
3-benzamido-4-[(3S)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzoic acid
CID 95064055
3-[(3-methylphenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid;2,2,2-trifluoroacetic acid
CID 146055949
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
5-[(4-bromobenzoyl)amino]-2-[(3S)-3-methylpiperidin-1-yl]benzoic acid
CID 94083663

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid (CID 95063995) is 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCC[C@@H](C)C2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
The InChIKey is XFZUJTUPLZLXOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-5-7-16(8-6-14)20(24)22-18-12-17(21(25)26)9-10-19(18)23-11-3-4-15(2)13-23/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,22,24)(H,25,26)/t15-/m1/s1.
What are the key properties of 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid?
3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid has a molecular weight of 352.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-4-[(3R)-3-methylpiperidin-1-yl]benzoic acid is sourced from PubChem (CID 95063995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).