3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

C20H31N5O3 — CID 120603479

IUPAC3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NCCN)C1
InChIInChI=1S/C20H31N5O3/c1-14(2)12-23-20(28)25-11-5-6-15(13-25)18(26)24-17-8-4-3-7-16(17)19(27)22-10-9-21/h3-4,7-8,14-15H,5-6,9-13,21H2,1-2H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyIVTJYNHOFCLFQO-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.39
Rot. Bonds7

About 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide

3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (PubChem CID 120603479) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
PubChem CID120603479
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CNC(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NCCN)C1
InChIInChI=1S/C20H31N5O3/c1-14(2)12-23-20(28)25-11-5-6-15(13-25)18(26)24-17-8-4-3-7-16(17)19(27)22-10-9-21/h3-4,7-8,14-15H,5-6,9-13,21H2,1-2H3,(H,22,27)(H,23,28)(H,24,26)
InChIKeyIVTJYNHOFCLFQO-UHFFFAOYSA-N
XLogP1.39
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 120603961
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
(3R)-3-N-(2,6-difluorophenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95981578
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
3-N-(5-amino-2-methylphenyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568216
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
2-[(3-aminocyclohexanecarbonyl)amino]-N-(2-methylpropyl)benzamide
CID 119684630
(3S)-3-N-(2-ethoxy-3-pyridinyl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 95775889

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide (CID 120603479) is 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is CC(C)CNC(=O)N1CCCC(C(=O)Nc2ccccc2C(=O)NCCN)C1.
What is the InChIKey of 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
The InChIKey is IVTJYNHOFCLFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-14(2)12-23-20(28)25-11-5-6-15(13-25)18(26)24-17-8-4-3-7-16(17)19(27)22-10-9-21/h3-4,7-8,14-15H,5-6,9-13,21H2,1-2H3,(H,22,27)(H,23,28)(H,24,26).
What are the key properties of 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide?
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide has a molecular weight of 389.50 g/mol, XLogP of 1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 120603479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).