4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride

C13H26ClN3O2 — CID 119577234

IUPAC4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride
SMILESCC(C)CCC(=O)NCC(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-10(2)4-5-12(17)15-8-13(18)16-7-6-14-11(3)9-16;/h10-11,14H,4-9H2,1-3H3,(H,15,17);1H
InChIKeyLFBKNEZFFFQTJD-UHFFFAOYSA-N
MW291.82 g/mol
LogP0.78
Rot. Bonds5

About 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride

4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride (PubChem CID 119577234) has the molecular formula C13H26ClN3O2 and a molecular weight of 291.82 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride
PubChem CID119577234
Molecular FormulaC13H26ClN3O2
Molecular Weight291.82 g/mol
Exact Mass291.17
IUPAC Name4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride
SMILESCC(C)CCC(=O)NCC(=O)N1CCNC(C)C1.Cl
InChIInChI=1S/C13H25N3O2.ClH/c1-10(2)4-5-12(17)15-8-13(18)16-7-6-14-11(3)9-16;/h10-11,14H,4-9H2,1-3H3,(H,15,17);1H
InChIKeyLFBKNEZFFFQTJD-UHFFFAOYSA-N
XLogP0.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylpiperazin-1-yl)-4-oxo-N-propylbutanamide
CID 119579732
3,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580841
3-amino-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one;hydrochloride
CID 130616004
3,4,4-trimethyl-1-[(3S)-3-methylpiperazin-1-yl]pentan-1-one
CID 81427089
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
CID 119378154
N-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119517632
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
4,4-dimethyl-1-(3-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 119580889
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
4-methyl-1-piperazin-1-ylpentan-1-one
CID 20596588
ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride?
The IUPAC name of 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride (CID 119577234) is 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride is CC(C)CCC(=O)NCC(=O)N1CCNC(C)C1.Cl.
What is the InChIKey of 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride?
The InChIKey is LFBKNEZFFFQTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.ClH/c1-10(2)4-5-12(17)15-8-13(18)16-7-6-14-11(3)9-16;/h10-11,14H,4-9H2,1-3H3,(H,15,17);1H.
What are the key properties of 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride?
4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride has a molecular weight of 291.82 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119577234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).