N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride

C12H24ClN5O3 — CID 119915218

IUPACN-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride
SMILESCNC(=O)NC(=O)C(C)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H23N5O3.ClH/c1-9(11(19)15-12(20)13-2)16(3)8-10(18)17-6-4-14-5-7-17;/h9,14H,4-8H2,1-3H3,(H2,13,15,19,20);1H
InChIKeyJBNPNGKCCPYLOZ-UHFFFAOYSA-N
MW321.81 g/mol
LogP-1.38
Rot. Bonds4

About N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride

N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride (PubChem CID 119915218) has the molecular formula C12H24ClN5O3 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride
PubChem CID119915218
Molecular FormulaC12H24ClN5O3
Molecular Weight321.81 g/mol
Exact Mass321.16
IUPAC NameN-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride
SMILESCNC(=O)NC(=O)C(C)N(C)CC(=O)N1CCNCC1.Cl
InChIInChI=1S/C12H23N5O3.ClH/c1-9(11(19)15-12(20)13-2)16(3)8-10(18)17-6-4-14-5-7-17;/h9,14H,4-8H2,1-3H3,(H2,13,15,19,20);1H
InChIKeyJBNPNGKCCPYLOZ-UHFFFAOYSA-N
XLogP-1.38
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266126
N-(2-methylbutan-2-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide
CID 61018696
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-methoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 112701223
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915495
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
3-[methyl(3-methylbutan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980944
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride?
The IUPAC name of N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride (CID 119915218) is N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride is CNC(=O)NC(=O)C(C)N(C)CC(=O)N1CCNCC1.Cl.
What is the InChIKey of N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride?
The InChIKey is JBNPNGKCCPYLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3.ClH/c1-9(11(19)15-12(20)13-2)16(3)8-10(18)17-6-4-14-5-7-17;/h9,14H,4-8H2,1-3H3,(H2,13,15,19,20);1H.
What are the key properties of N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride?
N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of -1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 119915218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).