4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide

C13H24N3O2+ — CID 18793268

IUPAC4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide
SMILESC=CC(=O)N1CC[N+](CC)(CCCC(N)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-3-13(18)15-7-10-16(4-2,11-8-15)9-5-6-12(14)17/h3H,1,4-11H2,2H3,(H-,14,17)/p+1
InChIKeyHBDYSJJYLDMFEE-UHFFFAOYSA-O
MW254.35 g/mol
LogP0.12
Rot. Bonds6

About 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide

4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide (PubChem CID 18793268) has the molecular formula C13H24N3O2+ and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide.

Molecular Properties

Compound Name4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide
PubChem CID18793268
Molecular FormulaC13H24N3O2+
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide
SMILESC=CC(=O)N1CC[N+](CC)(CCCC(N)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-3-13(18)15-7-10-16(4-2,11-8-15)9-5-6-12(14)17/h3H,1,4-11H2,2H3,(H-,14,17)/p+1
InChIKeyHBDYSJJYLDMFEE-UHFFFAOYSA-O
XLogP0.12
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-(1-Ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)propanamide chloride
CID 18793247
3-(1-Ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)propanamide
CID 18793248
4-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide chloride
CID 18793250
4-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide
CID 18793251
2-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
CID 18793256
2-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide
CID 18793257
2-(1-Ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
CID 18793263
2-(1-Ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide
CID 18793264
4-(1-Ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide chloride
CID 18793267
3-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)propanamide chloride
CID 18793287
3-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)propanamide
CID 18793288
1-(4-Prop-2-enoylpiperazin-1-yl)propan-1-one
CID 23034675

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide?
The IUPAC name of 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide (CID 18793268) is 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide.
What is the SMILES notation for 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide?
The canonical SMILES for 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide is C=CC(=O)N1CC[N+](CC)(CCCC(N)=O)CC1.
What is the InChIKey of 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide?
The InChIKey is HBDYSJJYLDMFEE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N3O2/c1-3-13(18)15-7-10-16(4-2,11-8-15)9-5-6-12(14)17/h3H,1,4-11H2,2H3,(H-,14,17)/p+1.
What are the key properties of 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide?
4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide has a molecular weight of 254.35 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide is sourced from PubChem (CID 18793268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).