N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

C22H29N3O — CID 34943408

IUPACN-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-19-7-9-21(10-8-19)17-23-22(26)18-25-15-13-24(14-16-25)12-11-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyCIZSPUKTLWBIQS-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.47
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide

N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (PubChem CID 34943408) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
PubChem CID34943408
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-19-7-9-21(10-8-19)17-23-22(26)18-25-15-13-24(14-16-25)12-11-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26)
InChIKeyCIZSPUKTLWBIQS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 87015230
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533919
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide
CID 6469246
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
N-(2-methylpropylcarbamoyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943993

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide (CID 34943408) is N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is Cc1ccc(CNC(=O)CN2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
The InChIKey is CIZSPUKTLWBIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-19-7-9-21(10-8-19)17-23-22(26)18-25-15-13-24(14-16-25)12-11-20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,26).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide has a molecular weight of 351.49 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 34943408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).