(Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide

C10H19N3O — CID 90151397

IUPAC(Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide
SMILESCC/C=C(/C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-4-9(10(11)14)13-7-5-12(2)6-8-13/h4H,3,5-8H2,1-2H3,(H2,11,14)/b9-4-
InChIKeyRAQCOPLBPPRHSA-WTKPLQERSA-N
MW197.28 g/mol
LogP0.01
Rot. Bonds3

About (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide

(Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide (PubChem CID 90151397) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide
PubChem CID90151397
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide
SMILESCC/C=C(/C(N)=O)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-4-9(10(11)14)13-7-5-12(2)6-8-13/h4H,3,5-8H2,1-2H3,(H2,11,14)/b9-4-
InChIKeyRAQCOPLBPPRHSA-WTKPLQERSA-N
XLogP0.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide?
The IUPAC name of (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide (CID 90151397) is (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide.
What is the SMILES notation for (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide?
The canonical SMILES for (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide is CC/C=C(/C(N)=O)N1CCN(C)CC1.
What is the InChIKey of (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide?
The InChIKey is RAQCOPLBPPRHSA-WTKPLQERSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-9(10(11)14)13-7-5-12(2)6-8-13/h4H,3,5-8H2,1-2H3,(H2,11,14)/b9-4-.
What are the key properties of (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide?
(Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide is sourced from PubChem (CID 90151397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).