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

C11H22N4O3 — CID 3066986

IUPACN-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N4O3/c1-12(2)10(17)13(3)11(18)15-6-4-14(5-7-15)8-9-16/h16H,4-9H2,1-3H3
InChIKeyXBUNSPQKSNKDSO-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.67
Rot. Bonds2

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

N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide (PubChem CID 3066986) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
PubChem CID3066986
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC NameN-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H22N4O3/c1-12(2)10(17)13(3)11(18)15-6-4-14(5-7-15)8-9-16/h16H,4-9H2,1-3H3
InChIKeyXBUNSPQKSNKDSO-UHFFFAOYSA-N
XLogP-0.67
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide (CID 3066986) is N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide is CN(C)C(=O)N(C)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is XBUNSPQKSNKDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-12(2)10(17)13(3)11(18)15-6-4-14(5-7-15)8-9-16/h16H,4-9H2,1-3H3.
What are the key properties of N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide?
N-(dimethylcarbamoyl)-4-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of -0.67, 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 is sourced from PubChem (CID 3066986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).