N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride

C12H25ClN4O2 — CID 119695730

IUPACN-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)C(C)CNC)CC1.Cl
InChIInChI=1S/C12H24N4O2.ClH/c1-4-14-12(18)16-7-5-15(6-8-16)11(17)10(2)9-13-3;/h10,13H,4-9H2,1-3H3,(H,14,18);1H
InChIKeyYZNBPCNWBPTGJS-UHFFFAOYSA-N
MW292.81 g/mol
LogP0.14
Rot. Bonds4

About N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride

N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride (PubChem CID 119695730) has the molecular formula C12H25ClN4O2 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
PubChem CID119695730
Molecular FormulaC12H25ClN4O2
Molecular Weight292.81 g/mol
Exact Mass292.17
IUPAC NameN-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride
SMILESCCNC(=O)N1CCN(C(=O)C(C)CNC)CC1.Cl
InChIInChI=1S/C12H24N4O2.ClH/c1-4-14-12(18)16-7-5-15(6-8-16)11(17)10(2)9-13-3;/h10,13H,4-9H2,1-3H3,(H,14,18);1H
InChIKeyYZNBPCNWBPTGJS-UHFFFAOYSA-N
XLogP0.14
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738900
4-(2-bromopropanoyl)-N-ethylpiperazine-1-carboxamide
CID 107904221
2,2-dimethyl-1-[4-[2-methyl-3-(methylamino)propanoyl]piperazin-1-yl]propan-1-one
CID 119708836
2-methyl-3-(methylamino)-1-thiomorpholin-4-ylpropan-1-one
CID 79196742
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
1-(4,4-diethylpiperidin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202240
4-[2-(azetidin-3-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 116676223
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
ethane;N-ethyl-4-methylpiperazine-1-carboxamide
CID 162757758
4-(3-aminobutanoyl)-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 119695739
1-(4,4-dimethylazepan-1-yl)-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119803717

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride (CID 119695730) is N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride is CCNC(=O)N1CCN(C(=O)C(C)CNC)CC1.Cl.
What is the InChIKey of N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride?
The InChIKey is YZNBPCNWBPTGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2.ClH/c1-4-14-12(18)16-7-5-15(6-8-16)11(17)10(2)9-13-3;/h10,13H,4-9H2,1-3H3,(H,14,18);1H.
What are the key properties of N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride?
N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-methyl-3-(methylamino)propanoyl]piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119695730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).