N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide

C9H17N3O — CID 567398

IUPACN-(4-methylpiperazin-1-yl)cyclopropanecarboxamide
SMILESCN1CCN(NC(=O)C2CC2)CC1
InChIInChI=1S/C9H17N3O/c1-11-4-6-12(7-5-11)10-9(13)8-2-3-8/h8H,2-7H2,1H3,(H,10,13)
InChIKeyYYXBESLZCIHIRB-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.32
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide

N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide (PubChem CID 567398) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)cyclopropanecarboxamide
PubChem CID567398
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(4-methylpiperazin-1-yl)cyclopropanecarboxamide
SMILESCN1CCN(NC(=O)C2CC2)CC1
InChIInChI=1S/C9H17N3O/c1-11-4-6-12(7-5-11)10-9(13)8-2-3-8/h8H,2-7H2,1H3,(H,10,13)
InChIKeyYYXBESLZCIHIRB-UHFFFAOYSA-N
XLogP-0.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide (CID 567398) is N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide is CN1CCN(NC(=O)C2CC2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide?
The InChIKey is YYXBESLZCIHIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-11-4-6-12(7-5-11)10-9(13)8-2-3-8/h8H,2-7H2,1H3,(H,10,13).
What are the key properties of N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide?
N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide has a molecular weight of 183.25 g/mol, XLogP of -0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)cyclopropanecarboxamide is sourced from PubChem (CID 567398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).