N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide

C10H21N3O2 — CID 102698384

IUPACN-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
SMILESCOC(C)CNC(=O)C1CNC(C)CN1
InChIInChI=1S/C10H21N3O2/c1-7-4-12-9(6-11-7)10(14)13-5-8(2)15-3/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyDVPIVPLUKGVKRD-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.91
Rot. Bonds4

About N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide

N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide (PubChem CID 102698384) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
PubChem CID102698384
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
SMILESCOC(C)CNC(=O)C1CNC(C)CN1
InChIInChI=1S/C10H21N3O2/c1-7-4-12-9(6-11-7)10(14)13-5-8(2)15-3/h7-9,11-12H,4-6H2,1-3H3,(H,13,14)
InChIKeyDVPIVPLUKGVKRD-UHFFFAOYSA-N
XLogP-0.91
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide?
The IUPAC name of N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide (CID 102698384) is N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide?
The canonical SMILES for N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide is COC(C)CNC(=O)C1CNC(C)CN1.
What is the InChIKey of N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide?
The InChIKey is DVPIVPLUKGVKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7-4-12-9(6-11-7)10(14)13-5-8(2)15-3/h7-9,11-12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide?
N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide has a molecular weight of 215.30 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide is sourced from PubChem (CID 102698384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).