N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide

C23H29N3O2 — CID 120740529

IUPACN-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCCc1ccc(C2CNCCN2C(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-18-8-10-20(11-9-18)21-17-24-14-15-26(21)23(28)12-13-25-22(27)16-19-6-4-3-5-7-19/h3-11,21,24H,2,12-17H2,1H3,(H,25,27)
InChIKeyLZWFXTCPOVBOPA-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.47
Rot. Bonds7

About N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide

N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide (PubChem CID 120740529) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
PubChem CID120740529
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
SMILESCCc1ccc(C2CNCCN2C(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-18-8-10-20(11-9-18)21-17-24-14-15-26(21)23(28)12-13-25-22(27)16-19-6-4-3-5-7-19/h3-11,21,24H,2,12-17H2,1H3,(H,25,27)
InChIKeyLZWFXTCPOVBOPA-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-ethylphenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide
CID 120740417
N-[3-oxo-3-(2-pyridin-3-ylpiperazin-1-yl)propyl]-2-phenylacetamide;hydrochloride
CID 120730149
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
N-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120738732
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120741031
N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 120740899
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-phenoxyethanone;hydrochloride
CID 120741482
N-[4-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]acetamide;hydrochloride
CID 120741686
2-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 120741479
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
1-[2-(4-ethylphenyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one;hydrochloride
CID 120741414
N-[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 120740327

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide (CID 120740529) is N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide is CCc1ccc(C2CNCCN2C(=O)CCNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
The InChIKey is LZWFXTCPOVBOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-18-8-10-20(11-9-18)21-17-24-14-15-26(21)23(28)12-13-25-22(27)16-19-6-4-3-5-7-19/h3-11,21,24H,2,12-17H2,1H3,(H,25,27).
What are the key properties of N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide?
N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide has a molecular weight of 379.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 120740529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).