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

C18H25N5O2 — CID 3170934

IUPAC1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
SMILESCCCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C18H25N5O2/c1-3-11-25-16-8-6-15(7-9-16)18-19-21-23(20-18)13-17(24)22-10-4-5-14(2)12-22/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyJTHZXXXYCMVQQJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.39
Rot. Bonds6

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

1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone (PubChem CID 3170934) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
PubChem CID3170934
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
SMILESCCCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1
InChIInChI=1S/C18H25N5O2/c1-3-11-25-16-8-6-15(7-9-16)18-19-21-23(20-18)13-17(24)22-10-4-5-14(2)12-22/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyJTHZXXXYCMVQQJ-UHFFFAOYSA-N
XLogP2.39
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-{4-[(2-methylbenzyl)oxy]phenyl}-2H-tetrazol-2-yl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 5295727
N,N-dimethyl-5-(4-phenoxyphenyl)tetrazole-2-carboxamide
CID 72197623
2-[5-(4-Isobutoxy-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
CID 650932
2-[5-(4-Butoxy-phenyl)-tetrazol-2-yl]-propionic acid ethyl ester
CID 652147
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571
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
1-[4-(4-Fluorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)tetrazol-2-yl]ethanone
CID 1373946
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
5-[4-(4-fluorophenoxy)phenyl]-N,N-dimethyltetrazole-2-carboxamide
CID 72197627

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone (CID 3170934) is 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone is CCCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
The InChIKey is JTHZXXXYCMVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-11-25-16-8-6-15(7-9-16)18-19-21-23(20-18)13-17(24)22-10-4-5-14(2)12-22/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone?
1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 3170934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).