3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide

C16H32N4O — CID 102779046

IUPAC3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)C1NCCC1C)N1CCN(C)CC1
InChIInChI=1S/C16H32N4O/c1-12(2)14(20-9-7-19(4)8-10-20)11-18-16(21)15-13(3)5-6-17-15/h12-15,17H,5-11H2,1-4H3,(H,18,21)
InChIKeyPREUDARBJCMYCF-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.37
Rot. Bonds5

About 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide

3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide (PubChem CID 102779046) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
PubChem CID102779046
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(CNC(=O)C1NCCC1C)N1CCN(C)CC1
InChIInChI=1S/C16H32N4O/c1-12(2)14(20-9-7-19(4)8-10-20)11-18-16(21)15-13(3)5-6-17-15/h12-15,17H,5-11H2,1-4H3,(H,18,21)
InChIKeyPREUDARBJCMYCF-UHFFFAOYSA-N
XLogP0.37
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide (CID 102779046) is 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide is CC(C)C(CNC(=O)C1NCCC1C)N1CCN(C)CC1.
What is the InChIKey of 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide?
The InChIKey is PREUDARBJCMYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-12(2)14(20-9-7-19(4)8-10-20)11-18-16(21)15-13(3)5-6-17-15/h12-15,17H,5-11H2,1-4H3,(H,18,21).
What are the key properties of 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide?
3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102779046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).