1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide

C15H22N4O2 — CID 82989882

IUPAC1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCCC2C(N)=O)c(N)c1
InChIInChI=1S/C15H22N4O2/c1-2-18-15(21)10-6-7-12(11(16)9-10)19-8-4-3-5-13(19)14(17)20/h6-7,9,13H,2-5,8,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyDZVLITLJBILFND-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.86
Rot. Bonds4

About 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide

1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 82989882) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
PubChem CID82989882
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESCCNC(=O)c1ccc(N2CCCCC2C(N)=O)c(N)c1
InChIInChI=1S/C15H22N4O2/c1-2-18-15(21)10-6-7-12(11(16)9-10)19-8-4-3-5-13(19)14(17)20/h6-7,9,13H,2-5,8,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyDZVLITLJBILFND-UHFFFAOYSA-N
XLogP0.86
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
3-amino-4-[2-(hydroxymethyl)azepan-1-yl]-N-methylbenzamide
CID 116633969
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
4-amino-N-ethyl-3-[2-(hydroxymethyl)pyrrolidin-1-yl]benzamide
CID 63360665
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
CID 82990426
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
3-amino-N-ethyl-4-[(2-ethylpiperidin-1-yl)methyl]benzamide
CID 82167845
1-[2-chloro-4-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 81148490
1-[4-amino-2-(methylsulfamoyl)phenyl]piperidine-2-carboxamide
CID 103286895
3-amino-N-methyl-4-(2-methylpyrrolidin-1-yl)benzamide
CID 82989332
3-amino-4-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylbenzamide
CID 82988577

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide (CID 82989882) is 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide is CCNC(=O)c1ccc(N2CCCCC2C(N)=O)c(N)c1.
What is the InChIKey of 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is DZVLITLJBILFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-18-15(21)10-6-7-12(11(16)9-10)19-8-4-3-5-13(19)14(17)20/h6-7,9,13H,2-5,8,16H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide?
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 82989882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).