2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride

C12H26ClN3O — CID 119924545

IUPAC2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
SMILESCC(C)CNC(=O)C(C)N1CCNC(C)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-9(2)7-14-12(16)11(4)15-6-5-13-10(3)8-15;/h9-11,13H,5-8H2,1-4H3,(H,14,16);1H
InChIKeyPQJZBJDYDXUVQG-UHFFFAOYSA-N
MW263.81 g/mol
LogP0.86
Rot. Bonds4

About 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride

2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride (PubChem CID 119924545) has the molecular formula C12H26ClN3O and a molecular weight of 263.81 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
PubChem CID119924545
Molecular FormulaC12H26ClN3O
Molecular Weight263.81 g/mol
Exact Mass263.18
IUPAC Name2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride
SMILESCC(C)CNC(=O)C(C)N1CCNC(C)C1.Cl
InChIInChI=1S/C12H25N3O.ClH/c1-9(2)7-14-12(16)11(4)15-6-5-13-10(3)8-15;/h9-11,13H,5-8H2,1-4H3,(H,14,16);1H
InChIKeyPQJZBJDYDXUVQG-UHFFFAOYSA-N
XLogP0.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119924485
N-tert-butyl-2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976887
N-cyclopentyl-2-(3-methylpiperazin-1-yl)propanamide
CID 65447521
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(2-methylpropyl)propanamide
CID 106672398
2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114500457
2-[3-methyl-4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 114499044
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(2-methylpropyl)propanamide
CID 102682398
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 60820142
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 81460274
2-(2-cyanomorpholin-4-yl)-N-(2-methylpropyl)propanamide
CID 78946325
methyl 3-[(3R)-3-methylpiperazin-1-yl]butanoate
CID 104975207

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride (CID 119924545) is 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride is CC(C)CNC(=O)C(C)N1CCNC(C)C1.Cl.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride?
The InChIKey is PQJZBJDYDXUVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.ClH/c1-9(2)7-14-12(16)11(4)15-6-5-13-10(3)8-15;/h9-11,13H,5-8H2,1-4H3,(H,14,16);1H.
What are the key properties of 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride?
2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-N-(2-methylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119924545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).