N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide

C19H27N3O2 — CID 75408409

IUPACN-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)C/C=C/c2ccc(C)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-3-20-18(23)15-21-11-13-22(14-12-21)19(24)6-4-5-17-9-7-16(2)8-10-17/h4-5,7-10H,3,6,11-15H2,1-2H3,(H,20,23)/b5-4+
InChIKeyCPKVTWRJZHJKQZ-SNAWJCMRSA-N
MW329.44 g/mol
LogP1.68
Rot. Bonds6

About N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide (PubChem CID 75408409) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide
PubChem CID75408409
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide
SMILESCCNC(=O)CN1CCN(C(=O)C/C=C/c2ccc(C)cc2)CC1
InChIInChI=1S/C19H27N3O2/c1-3-20-18(23)15-21-11-13-22(14-12-21)19(24)6-4-5-17-9-7-16(2)8-10-17/h4-5,7-10H,3,6,11-15H2,1-2H3,(H,20,23)/b5-4+
InChIKeyCPKVTWRJZHJKQZ-SNAWJCMRSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(E)-4-(4-methylphenyl)but-3-enoyl]piperidine-4-carboxylic acid
CID 75483359
4-(4-methylphenyl)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]but-3-en-1-one
CID 91943403
N-ethyl-2-[4-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperazin-1-yl]acetamide
CID 39569178
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843992
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
2-[4-[2-(3-aminopyrazol-1-yl)acetyl]piperazin-1-yl]-N-ethylacetamide
CID 62113895
N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
CID 173287477
2-[4-(4-chlorobutanoyl)piperazin-1-yl]-N-ethylacetamide
CID 63307721
2-[4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]piperazin-1-yl]-N-ethylacetamide
CID 86923268
2-(4-methylphenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994575
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119952990
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
CID 55567246

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide (CID 75408409) is N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide is CCNC(=O)CN1CCN(C(=O)C/C=C/c2ccc(C)cc2)CC1.
What is the InChIKey of N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide?
The InChIKey is CPKVTWRJZHJKQZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-20-18(23)15-21-11-13-22(14-12-21)19(24)6-4-5-17-9-7-16(2)8-10-17/h4-5,7-10H,3,6,11-15H2,1-2H3,(H,20,23)/b5-4+.
What are the key properties of N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide has a molecular weight of 329.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(E)-4-(4-methylphenyl)but-3-enoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 75408409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).