3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride

C20H38ClN5O3 — CID 119482486

IUPAC3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N2CCCC(C(=O)NCCN)C2)C1.Cl
InChIInChI=1S/C20H37N5O3.ClH/c1-15(2)12-23-20(28)25-10-3-5-16(13-25)11-18(26)24-9-4-6-17(14-24)19(27)22-8-7-21;/h15-17H,3-14,21H2,1-2H3,(H,22,27)(H,23,28);1H
InChIKeyDZILHGUFRQVBIH-UHFFFAOYSA-N
MW432.01 g/mol
LogP1.19
Rot. Bonds7

About 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride

3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (PubChem CID 119482486) has the molecular formula C20H38ClN5O3 and a molecular weight of 432.01 g/mol. Its IUPAC name is 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
PubChem CID119482486
Molecular FormulaC20H38ClN5O3
Molecular Weight432.01 g/mol
Exact Mass431.27
IUPAC Name3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N2CCCC(C(=O)NCCN)C2)C1.Cl
InChIInChI=1S/C20H37N5O3.ClH/c1-15(2)12-23-20(28)25-10-3-5-16(13-25)11-18(26)24-9-4-6-17(14-24)19(27)22-8-7-21;/h15-17H,3-14,21H2,1-2H3,(H,22,27)(H,23,28);1H
InChIKeyDZILHGUFRQVBIH-UHFFFAOYSA-N
XLogP1.19
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.01
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
3-N-[2-(ethylamino)ethyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 119506996
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119664765
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119418872
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
(2R)-2-[[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119243904
(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (CID 119482486) is 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is CC(C)CNC(=O)N1CCCC(CC(=O)N2CCCC(C(=O)NCCN)C2)C1.Cl.
What is the InChIKey of 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The InChIKey is DZILHGUFRQVBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O3.ClH/c1-15(2)12-23-20(28)25-10-3-5-16(13-25)11-18(26)24-9-4-6-17(14-24)19(27)22-8-7-21;/h15-17H,3-14,21H2,1-2H3,(H,22,27)(H,23,28);1H.
What are the key properties of 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride has a molecular weight of 432.01 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119482486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).