2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide

C26H28N6O3 — CID 17037223

IUPAC2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(-c2nnn(C3CCN(CC(=O)Nc4cccc5ccccc45)CC3)n2)cc1OC
InChIInChI=1S/C26H28N6O3/c1-34-23-11-10-19(16-24(23)35-2)26-28-30-32(29-26)20-12-14-31(15-13-20)17-25(33)27-22-9-5-7-18-6-3-4-8-21(18)22/h3-11,16,20H,12-15,17H2,1-2H3,(H,27,33)
InChIKeyXQNPEEFLXXVMFC-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.79
Rot. Bonds7

About 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide

2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide (PubChem CID 17037223) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide
PubChem CID17037223
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(-c2nnn(C3CCN(CC(=O)Nc4cccc5ccccc45)CC3)n2)cc1OC
InChIInChI=1S/C26H28N6O3/c1-34-23-11-10-19(16-24(23)35-2)26-28-30-32(29-26)20-12-14-31(15-13-20)17-25(33)27-22-9-5-7-18-6-3-4-8-21(18)22/h3-11,16,20H,12-15,17H2,1-2H3,(H,27,33)
InChIKeyXQNPEEFLXXVMFC-UHFFFAOYSA-N
XLogP3.79
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-methoxy-4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910362
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-naphthalen-1-ylacetamide
CID 17426240
N-(3-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
CID 1164687
4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine
CID 4913034
4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3,5-dimethylphenyl)piperidine-1-carbothioamide
CID 17322227
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 111332577
3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3200252
N-naphthalen-1-yl-2-(5-pyridin-4-yltetrazol-2-yl)acetamide
CID 859291
N-(4-methylphenyl)-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910303
N-(3,4-dimethoxyphenyl)-2-(4-pyrazol-1-ylpiperidin-1-yl)acetamide
CID 136524524
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2419747
ethyl 4-[[1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidin-4-yl]carbamoylamino]benzoate
CID 3220881

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide (CID 17037223) is 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide is COc1ccc(-c2nnn(C3CCN(CC(=O)Nc4cccc5ccccc45)CC3)n2)cc1OC.
What is the InChIKey of 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide?
The InChIKey is XQNPEEFLXXVMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-34-23-11-10-19(16-24(23)35-2)26-28-30-32(29-26)20-12-14-31(15-13-20)17-25(33)27-22-9-5-7-18-6-3-4-8-21(18)22/h3-11,16,20H,12-15,17H2,1-2H3,(H,27,33).
What are the key properties of 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide?
2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 472.55 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidin-1-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 17037223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).