N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide

C17H27N3O2 — CID 110293203

IUPACN,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C)C(c2ccccc2OC)C1
InChIInChI=1S/C17H27N3O2/c1-5-19(6-2)17(21)20-12-11-18(3)15(13-20)14-9-7-8-10-16(14)22-4/h7-10,15H,5-6,11-13H2,1-4H3
InChIKeyOURURMLRJVFWFZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.45
Rot. Bonds4

About N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide

N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide (PubChem CID 110293203) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
PubChem CID110293203
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C)C(c2ccccc2OC)C1
InChIInChI=1S/C17H27N3O2/c1-5-19(6-2)17(21)20-12-11-18(3)15(13-20)14-9-7-8-10-16(14)22-4/h7-10,15H,5-6,11-13H2,1-4H3
InChIKeyOURURMLRJVFWFZ-UHFFFAOYSA-N
XLogP2.45
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide (CID 110293203) is N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C)C(c2ccccc2OC)C1.
What is the InChIKey of N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
The InChIKey is OURURMLRJVFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-19(6-2)17(21)20-12-11-18(3)15(13-20)14-9-7-8-10-16(14)22-4/h7-10,15H,5-6,11-13H2,1-4H3.
What are the key properties of N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide?
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 110293203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).