2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide

C22H29N3O2 — CID 67612939

IUPAC2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide
SMILESCOc1ccccc1N1CCN(CC(C)(Cc2ccccc2)C(N)=O)CC1
InChIInChI=1S/C22H29N3O2/c1-22(21(23)26,16-18-8-4-3-5-9-18)17-24-12-14-25(15-13-24)19-10-6-7-11-20(19)27-2/h3-11H,12-17H2,1-2H3,(H2,23,26)
InChIKeyMPAJPJLDBBXRKV-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.55
Rot. Bonds7

About 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide

2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide (PubChem CID 67612939) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide
PubChem CID67612939
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide
SMILESCOc1ccccc1N1CCN(CC(C)(Cc2ccccc2)C(N)=O)CC1
InChIInChI=1S/C22H29N3O2/c1-22(21(23)26,16-18-8-4-3-5-9-18)17-24-12-14-25(15-13-24)19-10-6-7-11-20(19)27-2/h3-11H,12-17H2,1-2H3,(H2,23,26)
InChIKeyMPAJPJLDBBXRKV-UHFFFAOYSA-N
XLogP2.55
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropane-1,2-diol
CID 166286980
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 4122027
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanamide
CID 141443088
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylbutan-1-amine
CID 62261924
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl N-tert-butylcarbamate
CID 54039106
(E)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylbut-2-enoic acid
CID 18954705
methyl 3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylpropanoate
CID 19433554
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methoxy]benzoic acid
CID 20985299
3-[4-(2-methoxyphenyl)piperazin-1-yl]-4,4-dimethyl-2-phenylpentanamide
CID 67680253
(Z)-3-amino-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]but-2-enenitrile
CID 166435242

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide?
The IUPAC name of 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide (CID 67612939) is 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide?
The canonical SMILES for 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide is COc1ccccc1N1CCN(CC(C)(Cc2ccccc2)C(N)=O)CC1.
What is the InChIKey of 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide?
The InChIKey is MPAJPJLDBBXRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(21(23)26,16-18-8-4-3-5-9-18)17-24-12-14-25(15-13-24)19-10-6-7-11-20(19)27-2/h3-11H,12-17H2,1-2H3,(H2,23,26).
What are the key properties of 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide?
2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide has a molecular weight of 367.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 67612939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).