3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide

C14H27N3O — CID 123304936

IUPAC3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide
SMILESCCN1CCN(CCC(=O)NC(C)=C(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-5-16-8-10-17(11-9-16)7-6-14(18)15-13(4)12(2)3/h5-11H2,1-4H3,(H,15,18)
InChIKeyTUVNVXDIMPBHCC-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.44
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide

3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide (PubChem CID 123304936) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide
PubChem CID123304936
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide
SMILESCCN1CCN(CCC(=O)NC(C)=C(C)C)CC1
InChIInChI=1S/C14H27N3O/c1-5-16-8-10-17(11-9-16)7-6-14(18)15-13(4)12(2)3/h5-11H2,1-4H3,(H,15,18)
InChIKeyTUVNVXDIMPBHCC-UHFFFAOYSA-N
XLogP1.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylpiperazin-1-yl)butan-2-one
CID 20802873
N-butyl-3-(4-ethylpiperazin-1-yl)propanamide
CID 109012188
6-(4-ethylpiperazin-1-yl)hexan-2-one
CID 43792758
N-(2-amino-2-ethylbutyl)-3-(4-ethylpiperazin-1-yl)propanamide;dihydrochloride
CID 119642164
1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 62625465
3-[4-[3-(carbamoylamino)-3-oxopropyl]piperazin-1-yl]propanoic acid
CID 43522354
3-(4-acetylpiperazin-1-yl)-N-propylpropanamide
CID 109011336
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
3-(4-methylpiperazin-1-yl)-N-propylpropanamide
CID 109011333

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide (CID 123304936) is 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide is CCN1CCN(CCC(=O)NC(C)=C(C)C)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide?
The InChIKey is TUVNVXDIMPBHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-16-8-10-17(11-9-16)7-6-14(18)15-13(4)12(2)3/h5-11H2,1-4H3,(H,15,18).
What are the key properties of 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide?
3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide has a molecular weight of 253.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-N-(3-methylbut-2-en-2-yl)propanamide is sourced from PubChem (CID 123304936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).