2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C25H33N3O — CID 167760569

IUPAC2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC1(C)CN(CC(=O)NC2CCCc3ccccc32)CCN1Cc1ccccc1
InChIInChI=1S/C25H33N3O/c1-25(2)19-27(15-16-28(25)17-20-9-4-3-5-10-20)18-24(29)26-23-14-8-12-21-11-6-7-13-22(21)23/h3-7,9-11,13,23H,8,12,14-19H2,1-2H3,(H,26,29)
InChIKeySGKJUBMMPNTQSC-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 167760569) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID167760569
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCC1(C)CN(CC(=O)NC2CCCc3ccccc32)CCN1Cc1ccccc1
InChIInChI=1S/C25H33N3O/c1-25(2)19-27(15-16-28(25)17-20-9-4-3-5-10-20)18-24(29)26-23-14-8-12-21-11-6-7-13-22(21)23/h3-7,9-11,13,23H,8,12,14-19H2,1-2H3,(H,26,29)
InChIKeySGKJUBMMPNTQSC-UHFFFAOYSA-N
XLogP3.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9262225
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 94025031
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2410575
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30730233
2-[benzyl(methyl)amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8901359
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55364748
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9391023
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 167760569) is 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CC1(C)CN(CC(=O)NC2CCCc3ccccc32)CCN1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is SGKJUBMMPNTQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-25(2)19-27(15-16-28(25)17-20-9-4-3-5-10-20)18-24(29)26-23-14-8-12-21-11-6-7-13-22(21)23/h3-7,9-11,13,23H,8,12,14-19H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 391.56 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3,3-dimethylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 167760569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).