4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

C26H29N7O2 — CID 29340715

IUPAC4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(-n2nnnc2CN2CCN(C(=O)NCc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H29N7O2/c1-2-35-23-12-10-22(11-13-23)33-25(28-29-30-33)19-31-14-16-32(17-15-31)26(34)27-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-13H,2,14-19H2,1H3,(H,27,34)
InChIKeyOTROWSZWFVIVQZ-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.24
Rot. Bonds7

About 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide

4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (PubChem CID 29340715) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
PubChem CID29340715
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
SMILESCCOc1ccc(-n2nnnc2CN2CCN(C(=O)NCc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C26H29N7O2/c1-2-35-23-12-10-22(11-13-23)33-25(28-29-30-33)19-31-14-16-32(17-15-31)26(34)27-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-13H,2,14-19H2,1H3,(H,27,34)
InChIKeyOTROWSZWFVIVQZ-UHFFFAOYSA-N
XLogP3.24
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858415
N-(4-ethoxyphenyl)-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 30858692
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 30938837
N-cyclohexyl-4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carboxamide
CID 29340665
(4-ethoxyphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936153
4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 29340252
2-(4-ethoxyphenyl)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937916
2-(4-ethoxyphenyl)-1-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937243
(2R)-1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 30858453
[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 30938779
ethyl 3-[[4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]amino]propanoate
CID 29340628
2-(4-ethoxyphenoxy)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30937902

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide (CID 29340715) is 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is CCOc1ccc(-n2nnnc2CN2CCN(C(=O)NCc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
The InChIKey is OTROWSZWFVIVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-2-35-23-12-10-22(11-13-23)33-25(28-29-30-33)19-31-14-16-32(17-15-31)26(34)27-18-21-8-5-7-20-6-3-4-9-24(20)21/h3-13H,2,14-19H2,1H3,(H,27,34).
What are the key properties of 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide?
4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide has a molecular weight of 471.57 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 29340715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).