N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide

C22H29N3O — CID 55917102

IUPACN-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
SMILESCC(CCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-19(12-13-20-8-4-2-5-9-20)25-16-14-24(15-17-25)18-22(26)23-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,23,26)
InChIKeyJMFPYMNLSJHGAT-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.26
Rot. Bonds7

About N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide

N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide (PubChem CID 55917102) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
PubChem CID55917102
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide
SMILESCC(CCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c1-19(12-13-20-8-4-2-5-9-20)25-16-14-24(15-17-25)18-22(26)23-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,23,26)
InChIKeyJMFPYMNLSJHGAT-UHFFFAOYSA-N
XLogP3.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78836771
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 31691698
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190
4-(2-anilino-2-oxoethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 31065316
N-phenyl-2-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 9393646
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30738921

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide (CID 55917102) is N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide is CC(CCc1ccccc1)N1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is JMFPYMNLSJHGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-19(12-13-20-8-4-2-5-9-20)25-16-14-24(15-17-25)18-22(26)23-21-10-6-3-7-11-21/h2-11,19H,12-18H2,1H3,(H,23,26).
What are the key properties of N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide?
N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-(4-phenylbutan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55917102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).