N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide

C13H27N5O — CID 82892255

IUPACN-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1CCN1CCN(C)CC1
InChIInChI=1S/C13H27N5O/c1-14-13(19)12-11-15-3-4-18(12)10-9-17-7-5-16(2)6-8-17/h12,15H,3-11H2,1-2H3,(H,14,19)
InChIKeyFEQDZAGQIJSPMP-UHFFFAOYSA-N
MW269.39 g/mol
LogP-1.75
Rot. Bonds4

About N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide

N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide (PubChem CID 82892255) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide
PubChem CID82892255
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC NameN-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1CCN1CCN(C)CC1
InChIInChI=1S/C13H27N5O/c1-14-13(19)12-11-15-3-4-18(12)10-9-17-7-5-16(2)6-8-17/h12,15H,3-11H2,1-2H3,(H,14,19)
InChIKeyFEQDZAGQIJSPMP-UHFFFAOYSA-N
XLogP-1.75
TPSA50.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide (CID 82892255) is N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide is CNC(=O)C1CNCCN1CCN1CCN(C)CC1.
What is the InChIKey of N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is FEQDZAGQIJSPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-14-13(19)12-11-15-3-4-18(12)10-9-17-7-5-16(2)6-8-17/h12,15H,3-11H2,1-2H3,(H,14,19).
What are the key properties of N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide?
N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of -1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 82892255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).