4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid

C16H22N2O3 — CID 63128895

IUPAC4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
SMILESCCC1(C(=O)NCc2ccc(C(=O)O)cc2)CCNCC1
InChIInChI=1S/C16H22N2O3/c1-2-16(7-9-17-10-8-16)15(21)18-11-12-3-5-13(6-4-12)14(19)20/h3-6,17H,2,7-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyFCDHRCYGIVYFIZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.78
Rot. Bonds5

About 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid

4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid (PubChem CID 63128895) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
PubChem CID63128895
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
SMILESCCC1(C(=O)NCc2ccc(C(=O)O)cc2)CCNCC1
InChIInChI=1S/C16H22N2O3/c1-2-16(7-9-17-10-8-16)15(21)18-11-12-3-5-13(6-4-12)14(19)20/h3-6,17H,2,7-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyFCDHRCYGIVYFIZ-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
4-ethyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 63127725
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
N-[(3-ethoxyphenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63128509
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621041
4-[[[1-(aminomethyl)cyclohexanecarbonyl]amino]methyl]benzoic acid
CID 115437664
4-[[(2-methylpiperidine-2-carbonyl)amino]methyl]benzoic acid
CID 104596566
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-[[[1-(ethylcarbamoyl)cyclobutyl]methylcarbamoylamino]methyl]benzoic acid
CID 122011714
4-[[(2-propylpyrrolidine-2-carbonyl)amino]methyl]benzoic acid
CID 106974808

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid (CID 63128895) is 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid is CCC1(C(=O)NCc2ccc(C(=O)O)cc2)CCNCC1.
What is the InChIKey of 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid?
The InChIKey is FCDHRCYGIVYFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-16(7-9-17-10-8-16)15(21)18-11-12-3-5-13(6-4-12)14(19)20/h3-6,17H,2,7-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid?
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 63128895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).