2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide

C22H27N3O2 — CID 40813283

IUPAC2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(19-8-10-21(11-9-19)20-6-4-3-5-7-20)23-22(27)16-24-12-14-25(15-13-24)18(2)26/h3-11,17H,12-16H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyJAQJDHSPXLMYSH-QGZVFWFLSA-N
MW365.48 g/mol
LogP2.69
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide

2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 40813283) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID40813283
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
SMILESCC(=O)N1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O2/c1-17(19-8-10-21(11-9-19)20-6-4-3-5-7-20)23-22(27)16-24-12-14-25(15-13-24)18(2)26/h3-11,17H,12-16H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeyJAQJDHSPXLMYSH-QGZVFWFLSA-N
XLogP2.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8904136
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 51624224
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
N-(2-chlorophenyl)-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30627238
ethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8932163
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40642009
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40895557
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
2-[4,7-bis[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 11285246
2-(4-benzoylpiperazin-1-yl)-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 9223336
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide (CID 40813283) is 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide is CC(=O)N1CCN(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is JAQJDHSPXLMYSH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17(19-8-10-21(11-9-19)20-6-4-3-5-7-20)23-22(27)16-24-12-14-25(15-13-24)18(2)26/h3-11,17H,12-16H2,1-2H3,(H,23,27)/t17-/m1/s1.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 40813283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).