2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C24H31N3O2 — CID 60511940

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)N(C)C2CCCc3ccccc32)CC1
InChIInChI=1S/C24H31N3O2/c1-25(21-12-7-9-19-8-3-4-10-20(19)21)24(28)18-26-14-16-27(17-15-26)22-11-5-6-13-23(22)29-2/h3-6,8,10-11,13,21H,7,9,12,14-18H2,1-2H3
InChIKeyVWVNNOZAELUDSR-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.35
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 60511940) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID60511940
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)N(C)C2CCCc3ccccc32)CC1
InChIInChI=1S/C24H31N3O2/c1-25(21-12-7-9-19-8-3-4-10-20(19)21)24(28)18-26-14-16-27(17-15-26)22-11-5-6-13-23(22)29-2/h3-6,8,10-11,13,21H,7,9,12,14-18H2,1-2H3
InChIKeyVWVNNOZAELUDSR-UHFFFAOYSA-N
XLogP3.35
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346528
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9347111
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 78807930
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39976733
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46809760
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9348705
2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9346527
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 120775346
2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 36738179
2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95289244
2-(2,5-dimethylmorpholin-4-yl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 75808665

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 60511940) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccccc1N1CCN(CC(=O)N(C)C2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is VWVNNOZAELUDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-25(21-12-7-9-19-8-3-4-10-20(19)21)24(28)18-26-14-16-27(17-15-26)22-11-5-6-13-23(22)29-2/h3-6,8,10-11,13,21H,7,9,12,14-18H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 60511940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).