N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C24H31N3O — CID 56517039

IUPACN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCN1CCN(c2ccccc2CNC(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C24H31N3O/c1-26-12-14-27(15-13-26)23-9-5-4-8-22(23)18-25-24(28)17-19-10-11-20-6-2-3-7-21(20)16-19/h4-5,8-11,16H,2-3,6-7,12-15,17-18H2,1H3,(H,25,28)
InChIKeyDSVQBLMSFPUROC-UHFFFAOYSA-N
MW377.53 g/mol
LogP3.18
Rot. Bonds5

About N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 56517039) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
PubChem CID56517039
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
SMILESCN1CCN(c2ccccc2CNC(=O)Cc2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C24H31N3O/c1-26-12-14-27(15-13-26)23-9-5-4-8-22(23)18-25-24(28)17-19-10-11-20-6-2-3-7-21(20)16-19/h4-5,8-11,16H,2-3,6-7,12-15,17-18H2,1H3,(H,25,28)
InChIKeyDSVQBLMSFPUROC-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 18189509
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517413
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 56517492
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56523285
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 56523379
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298
3-ethyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 56517242
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]acetamide
CID 56517214
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylsulfanylbenzamide
CID 56518359
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzo[f]quinoline-5-carboxamide
CID 56517786

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 56517039) is N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is CN1CCN(c2ccccc2CNC(=O)Cc2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is DSVQBLMSFPUROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-26-12-14-27(15-13-26)23-9-5-4-8-22(23)18-25-24(28)17-19-10-11-20-6-2-3-7-21(20)16-19/h4-5,8-11,16H,2-3,6-7,12-15,17-18H2,1H3,(H,25,28).
What are the key properties of N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 377.53 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 56517039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).