2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone

C16H21N5O2 — CID 860162

IUPAC2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1cccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C16H21N5O2/c1-12-6-8-20(9-7-12)15(22)11-21-18-16(17-19-21)13-4-3-5-14(10-13)23-2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeySCGLHTIFELAJBH-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.61
Rot. Bonds4

About 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 860162) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID860162
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1cccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C16H21N5O2/c1-12-6-8-20(9-7-12)15(22)11-21-18-16(17-19-21)13-4-3-5-14(10-13)23-2/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeySCGLHTIFELAJBH-UHFFFAOYSA-N
XLogP1.61
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170934
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[cyclohexyl-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347995
2-[5-(4-Isobutoxy-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
CID 650932
2-[5-(4'-Methoxy-biphenyl-4-yl)-tetrazol-2-yl]-1-morpholin-4-yl-ethanone
CID 655883
4-{[5-(4-methoxyphenyl)-2H-tetrazol-2-yl]acetyl}morpholine
CID 970561
4-[(5-{4-[(2-fluorobenzyl)oxy]phenyl}-2H-tetrazol-2-yl)acetyl]morpholine
CID 1296610
2-[5-[4-(Dimethylamino)phenyl]tetrazol-2-yl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 1373940
2-[5-(4-Ethoxyphenyl)tetrazol-2-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3171709
N-Allyl-2-[5-(4'-methoxy-biphenyl-4-yl)-tetrazol-2-yl]-acetamide
CID 3844389
2-[5-(2-fluorophenyl)tetrazol-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2985193
1-Piperidin-1-yl-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170932

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 860162) is 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone is COc1cccc(-c2nnn(CC(=O)N3CCC(C)CC3)n2)c1.
What is the InChIKey of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is SCGLHTIFELAJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-12-6-8-20(9-7-12)15(22)11-21-18-16(17-19-21)13-4-3-5-14(10-13)23-2/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 315.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methoxyphenyl)tetrazol-2-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 860162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).