2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

C17H23N5O3 — CID 6472290

IUPAC2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCCOc1cc(-c2nnn(CC(=O)N3CCCCC3)n2)ccc1OC
InChIInChI=1S/C17H23N5O3/c1-3-25-15-11-13(7-8-14(15)24-2)17-18-20-22(19-17)12-16(23)21-9-5-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyYNEOPIYMXZYSAQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.76
Rot. Bonds6

About 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone

2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (PubChem CID 6472290) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
PubChem CID6472290
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
SMILESCCOc1cc(-c2nnn(CC(=O)N3CCCCC3)n2)ccc1OC
InChIInChI=1S/C17H23N5O3/c1-3-25-15-11-13(7-8-14(15)24-2)17-18-20-22(19-17)12-16(23)21-9-5-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKeyYNEOPIYMXZYSAQ-UHFFFAOYSA-N
XLogP1.76
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170934
N-Cyclopentyl-2-(cyclopentyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-propionamide
CID 649690
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-(oxan-4-yl)amino]-N-cyclopentylpropanamide
CID 53377432
[5-(4-Benzyloxy-3-methoxy-phenyl)-tetrazol-2-yl]-acetonitrile
CID 650154
2-[5-(4-Isobutoxy-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
CID 650932
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-1-[4-(4-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653769
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571
2-(Cyclohexyl-{2-[5-(3,4-dimethoxy-phenyl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-butyramide
CID 654985
[5-(3,4-Dimethoxy-phenyl)-tetrazol-2-yl]-acetic acid cyclohexyl ester
CID 655622

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone (CID 6472290) is 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is CCOc1cc(-c2nnn(CC(=O)N3CCCCC3)n2)ccc1OC.
What is the InChIKey of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is YNEOPIYMXZYSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-3-25-15-11-13(7-8-14(15)24-2)17-18-20-22(19-17)12-16(23)21-9-5-4-6-10-21/h7-8,11H,3-6,9-10,12H2,1-2H3.
What are the key properties of 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone?
2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 345.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxy-4-methoxyphenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 6472290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).