N'-(4-methylpiperazin-1-yl)butanediamide

C9H18N4O2 — CID 154962784

IUPACN'-(4-methylpiperazin-1-yl)butanediamide
SMILESCN1CCN(NC(=O)CCC(N)=O)CC1
InChIInChI=1S/C9H18N4O2/c1-12-4-6-13(7-5-12)11-9(15)3-2-8(10)14/h2-7H2,1H3,(H2,10,14)(H,11,15)
InChIKeyURBPBODDOVTINB-UHFFFAOYSA-N
MW214.27 g/mol
LogP-1.47
Rot. Bonds4

About N'-(4-methylpiperazin-1-yl)butanediamide

N'-(4-methylpiperazin-1-yl)butanediamide (PubChem CID 154962784) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-(4-methylpiperazin-1-yl)butanediamide.

Molecular Properties

Compound NameN'-(4-methylpiperazin-1-yl)butanediamide
PubChem CID154962784
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC NameN'-(4-methylpiperazin-1-yl)butanediamide
SMILESCN1CCN(NC(=O)CCC(N)=O)CC1
InChIInChI=1S/C9H18N4O2/c1-12-4-6-13(7-5-12)11-9(15)3-2-8(10)14/h2-7H2,1H3,(H2,10,14)(H,11,15)
InChIKeyURBPBODDOVTINB-UHFFFAOYSA-N
XLogP-1.47
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylpiperazin-1-yl)butanediamide?
The IUPAC name of N'-(4-methylpiperazin-1-yl)butanediamide (CID 154962784) is N'-(4-methylpiperazin-1-yl)butanediamide.
What is the SMILES notation for N'-(4-methylpiperazin-1-yl)butanediamide?
The canonical SMILES for N'-(4-methylpiperazin-1-yl)butanediamide is CN1CCN(NC(=O)CCC(N)=O)CC1.
What is the InChIKey of N'-(4-methylpiperazin-1-yl)butanediamide?
The InChIKey is URBPBODDOVTINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-12-4-6-13(7-5-12)11-9(15)3-2-8(10)14/h2-7H2,1H3,(H2,10,14)(H,11,15).
What are the key properties of N'-(4-methylpiperazin-1-yl)butanediamide?
N'-(4-methylpiperazin-1-yl)butanediamide has a molecular weight of 214.27 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylpiperazin-1-yl)butanediamide is sourced from PubChem (CID 154962784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).