3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid

C15H20N2O3 — CID 63131356

IUPAC3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2cccc(C(=O)O)c2)CCCNC1
InChIInChI=1S/C15H20N2O3/c1-2-15(7-4-8-16-10-15)14(20)17-12-6-3-5-11(9-12)13(18)19/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMIZQOWRJPUKEQN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds4

About 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid

3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid (PubChem CID 63131356) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
PubChem CID63131356
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
SMILESCCC1(C(=O)Nc2cccc(C(=O)O)c2)CCCNC1
InChIInChI=1S/C15H20N2O3/c1-2-15(7-4-8-16-10-15)14(20)17-12-6-3-5-11(9-12)13(18)19/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMIZQOWRJPUKEQN-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
3-ethyl-N-(3-sulfamoylphenyl)piperidine-3-carboxamide
CID 63132301
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(2,3-dihydro-1H-inden-5-yl)-3-ethylpiperidine-3-carboxamide
CID 63132083
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509
N-(3-bromo-4-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 104778149
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
N-(3-acetylphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943623
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
3-ethyl-N-[3-(sulfamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63139750
N-(3-chloro-4-methoxyphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132336

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid (CID 63131356) is 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid is CCC1(C(=O)Nc2cccc(C(=O)O)c2)CCCNC1.
What is the InChIKey of 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
The InChIKey is MIZQOWRJPUKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-15(7-4-8-16-10-15)14(20)17-12-6-3-5-11(9-12)13(18)19/h3,5-6,9,16H,2,4,7-8,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid?
3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 63131356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).