2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride

C15H32Cl2N4O2 — CID 119853534

IUPAC2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride
SMILESCCCNC(=O)CN1CCC(NC(=O)C(C)CNC)CC1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-4-7-17-14(20)11-19-8-5-13(6-9-19)18-15(21)12(2)10-16-3;;/h12-13,16H,4-11H2,1-3H3,(H,17,20)(H,18,21);2*1H
InChIKeyAPPMFRHIJQCHQK-UHFFFAOYSA-N
MW371.35 g/mol
LogP0.79
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride (PubChem CID 119853534) has the molecular formula C15H32Cl2N4O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride
PubChem CID119853534
Molecular FormulaC15H32Cl2N4O2
Molecular Weight371.35 g/mol
Exact Mass370.19
IUPAC Name2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride
SMILESCCCNC(=O)CN1CCC(NC(=O)C(C)CNC)CC1.Cl.Cl
InChIInChI=1S/C15H30N4O2.2ClH/c1-4-7-17-14(20)11-19-8-5-13(6-9-19)18-15(21)12(2)10-16-3;;/h12-13,16H,4-11H2,1-3H3,(H,17,20)(H,18,21);2*1H
InChIKeyAPPMFRHIJQCHQK-UHFFFAOYSA-N
XLogP0.79
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535
2-methyl-3-(methylamino)-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 119841116
2-methyl-N-[2-[[N'-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111990748
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
2-[4-[[2-[cyclopropyl(methyl)amino]acetyl]amino]piperidin-1-yl]-N-propylacetamide
CID 60504083
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide;dihydrochloride
CID 119853532
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
4-bromo-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56565279
2-hydroxy-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55842838
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
2-[4-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111992764
2-[4-[[N-ethyl-N'-(2-hydroxyethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111990760

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride (CID 119853534) is 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride is CCCNC(=O)CN1CCC(NC(=O)C(C)CNC)CC1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
The InChIKey is APPMFRHIJQCHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.2ClH/c1-4-7-17-14(20)11-19-8-5-13(6-9-19)18-15(21)12(2)10-16-3;;/h12-13,16H,4-11H2,1-3H3,(H,17,20)(H,18,21);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride has a molecular weight of 371.35 g/mol, XLogP of 0.79, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide;dihydrochloride is sourced from PubChem (CID 119853534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).