N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide

C9H19N3O — CID 82761351

IUPACN-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
SMILESCNC(=O)C(C)N1CCNC[C@H]1C
InChIInChI=1S/C9H19N3O/c1-7-6-11-4-5-12(7)8(2)9(13)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,13)/t7-,8?/m1/s1
InChIKeyIIJXZENGXBKBIA-GVHYBUMESA-N
MW185.27 g/mol
LogP-0.59
Rot. Bonds2

About N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide

N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide (PubChem CID 82761351) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
PubChem CID82761351
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
SMILESCNC(=O)C(C)N1CCNC[C@H]1C
InChIInChI=1S/C9H19N3O/c1-7-6-11-4-5-12(7)8(2)9(13)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,13)/t7-,8?/m1/s1
InChIKeyIIJXZENGXBKBIA-GVHYBUMESA-N
XLogP-0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide?
The IUPAC name of N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide (CID 82761351) is N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide?
The canonical SMILES for N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide is CNC(=O)C(C)N1CCNC[C@H]1C.
What is the InChIKey of N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide?
The InChIKey is IIJXZENGXBKBIA-GVHYBUMESA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-6-11-4-5-12(7)8(2)9(13)10-3/h7-8,11H,4-6H2,1-3H3,(H,10,13)/t7-,8?/m1/s1.
What are the key properties of N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide?
N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide has a molecular weight of 185.27 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 82761351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).