N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide

C12H25N3O2 — CID 135193446

IUPACN-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOCCN(C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-11(2)14-5-7-15(8-6-14)12(16)13(3)9-10-17-4/h11H,5-10H2,1-4H3
InChIKeyFIMHCOGQYIUUAC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.71
Rot. Bonds4

About N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide

N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide (PubChem CID 135193446) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide
PubChem CID135193446
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide
SMILESCOCCN(C)C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C12H25N3O2/c1-11(2)14-5-7-15(8-6-14)12(16)13(3)9-10-17-4/h11H,5-10H2,1-4H3
InChIKeyFIMHCOGQYIUUAC-UHFFFAOYSA-N
XLogP0.71
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide (CID 135193446) is N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide is COCCN(C)C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is FIMHCOGQYIUUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2)14-5-7-15(8-6-14)12(16)13(3)9-10-17-4/h11H,5-10H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide?
N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 243.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-4-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 135193446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).