methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate

C19H27N3O4 — CID 55698633

IUPACmethyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate
SMILESCCC1CCCN(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)C1
InChIInChI=1S/C19H27N3O4/c1-3-14-5-4-12-22(13-14)19(25)21-16-8-6-15(7-9-16)18(24)20-11-10-17(23)26-2/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHBNRXGWICFJUDU-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.63
Rot. Bonds6

About methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate

methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate (PubChem CID 55698633) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate
PubChem CID55698633
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate
SMILESCCC1CCCN(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)C1
InChIInChI=1S/C19H27N3O4/c1-3-14-5-4-12-22(13-14)19(25)21-16-8-6-15(7-9-16)18(24)20-11-10-17(23)26-2/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHBNRXGWICFJUDU-UHFFFAOYSA-N
XLogP2.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate with MolForge

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Related Compounds

3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
methyl 3-[[4-[(2,5-dimethylmorpholine-4-carbonyl)amino]benzoyl]amino]propanoate
CID 154751575
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505
(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093800
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
N-[4-[2-(3-ethylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 86981185

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate (CID 55698633) is methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate is CCC1CCCN(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)C1.
What is the InChIKey of methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate?
The InChIKey is HBNRXGWICFJUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-3-14-5-4-12-22(13-14)19(25)21-16-8-6-15(7-9-16)18(24)20-11-10-17(23)26-2/h6-9,14H,3-5,10-13H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate?
methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate has a molecular weight of 361.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(3-ethylpiperidine-1-carbonyl)amino]benzoyl]amino]propanoate is sourced from PubChem (CID 55698633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).