N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride

C11H23ClN4O3 — CID 3066985

IUPACN-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(CCO)CC1.Cl
InChIInChI=1S/C11H22N4O3.ClH/c1-12(2)10(17)13(3)11(18)15-6-4-14(5-7-15)8-9-16;/h16H,4-9H2,1-3H3;1H
InChIKeyYELBCHSHFKHCOY-UHFFFAOYSA-N
MW294.78 g/mol
LogP-0.25
Rot. Bonds2

About N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride

N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride (PubChem CID 3066985) has the molecular formula C11H23ClN4O3 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride
PubChem CID3066985
Molecular FormulaC11H23ClN4O3
Molecular Weight294.78 g/mol
Exact Mass294.15
IUPAC NameN-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(CCO)CC1.Cl
InChIInChI=1S/C11H22N4O3.ClH/c1-12(2)10(17)13(3)11(18)15-6-4-14(5-7-15)8-9-16;/h16H,4-9H2,1-3H3;1H
InChIKeyYELBCHSHFKHCOY-UHFFFAOYSA-N
XLogP-0.25
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl 3,5-bis-(2-hydroxyethyl) isocyanurate
CID 23550168
N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 3066986
1,3-Diethyl-5-(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 15307684
1,1,3,3,5,5-Hexakis(2-hydroxyethyl)-1,3,5-triazinane-1,3,5-triium-2,4,6-trione
CID 57021758
1-Ethyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 57669293
6-Hydroxy-1,3,5-tris(2-hydroxyethyl)-1,3,5-triazinane-2,4-dione
CID 91492823
N-(2-hydroxyethyl)-N,4-dimethyl-1-piperazinecarboxamide
CID 97301854
4-(2-hydroxyethyl)-N,N-dimethylpiperazine-1-carboxamide
CID 110459921
N-(2-hydroxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide
CID 124199542
N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 124199802
N-(2-hydroxyethyl)-N,4-di(propan-2-yl)piperazine-1-carboxamide
CID 126752817
Bis[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 127579873

Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride (CID 3066985) is N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride is CN(C)C(=O)N(C)C(=O)N1CCN(CCO)CC1.Cl.
What is the InChIKey of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is YELBCHSHFKHCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3.ClH/c1-12(2)10(17)13(3)11(18)15-6-4-14(5-7-15)8-9-16;/h16H,4-9H2,1-3H3;1H.
What are the key properties of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride?
N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 3066985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).