N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide

C24H31N3O2 — CID 9022351

IUPACN-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-3-20-9-7-8-12-22(20)25-23(28)18-26-13-15-27(16-14-26)24(29)17-19(2)21-10-5-4-6-11-21/h4-12,19H,3,13-18H2,1-2H3,(H,25,28)/t19-/m1/s1
InChIKeyWORQTSUKCIXXHZ-LJQANCHMSA-N
MW393.53 g/mol
LogP3.53
Rot. Bonds7

About N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide (PubChem CID 9022351) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
PubChem CID9022351
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1
InChIInChI=1S/C24H31N3O2/c1-3-20-9-7-8-12-22(20)25-23(28)18-26-13-15-27(16-14-26)24(29)17-19(2)21-10-5-4-6-11-21/h4-12,19H,3,13-18H2,1-2H3,(H,25,28)/t19-/m1/s1
InChIKeyWORQTSUKCIXXHZ-LJQANCHMSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]acetamide
CID 9020714
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833508
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120594769
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 51624224
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 16605926
N-(2-ethylphenyl)-2-[4-[2-(1-pyridin-2-ylethylamino)acetyl]piperazin-1-yl]acetamide
CID 112801160
2-[4-[(3S)-3-phenylbutanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 25496752

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide (CID 9022351) is N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
The InChIKey is WORQTSUKCIXXHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-20-9-7-8-12-22(20)25-23(28)18-26-13-15-27(16-14-26)24(29)17-19(2)21-10-5-4-6-11-21/h4-12,19H,3,13-18H2,1-2H3,(H,25,28)/t19-/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[(3R)-3-phenylbutanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9022351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).