3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid

C15H20N2O3 — CID 61192662

IUPAC3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CC(C)CN(C(=O)Nc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C15H20N2O3/c1-10-6-11(2)9-17(8-10)15(20)16-13-5-3-4-12(7-13)14(18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIHAJRQCQYGYOHO-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.89
Rot. Bonds2

About 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid

3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid (PubChem CID 61192662) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
PubChem CID61192662
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid
SMILESCC1CC(C)CN(C(=O)Nc2cccc(C(=O)O)c2)C1
InChIInChI=1S/C15H20N2O3/c1-10-6-11(2)9-17(8-10)15(20)16-13-5-3-4-12(7-13)14(18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyIHAJRQCQYGYOHO-UHFFFAOYSA-N
XLogP2.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108514940
3-[[3-[bis(2-methylpropyl)amino]azetidine-1-carbonyl]amino]benzoic acid
CID 69056634
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[[3-(benzylcarbamoyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102694
(2S,6S)-N-(3-acetylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 969916
5-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 63654758
3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430418
3-[[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430419
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
(3S,5R)-N-[3-[[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]amino]-4-methylphenyl]-3,5-dimethylpiperidine-1-carboxamide
CID 27806673
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid (CID 61192662) is 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid is CC1CC(C)CN(C(=O)Nc2cccc(C(=O)O)c2)C1.
What is the InChIKey of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
The InChIKey is IHAJRQCQYGYOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-11(2)9-17(8-10)15(20)16-13-5-3-4-12(7-13)14(18)19/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid?
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpiperidine-1-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61192662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).