(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone

C18H23N5O2 — CID 166314237

IUPAC(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone
SMILESCC1OCCC1C(=O)N1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C18H23N5O2/c1-12-16(8-11-25-12)18(24)23-9-6-14(7-10-23)13-2-4-15(5-3-13)17-19-21-22-20-17/h2-5,12,14,16H,6-11H2,1H3,(H,19,20,21,22)
InChIKeyAFHFQUBOFQLSRR-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.00
Rot. Bonds3

About (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone

(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone (PubChem CID 166314237) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone
PubChem CID166314237
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone
SMILESCC1OCCC1C(=O)N1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1
InChIInChI=1S/C18H23N5O2/c1-12-16(8-11-25-12)18(24)23-9-6-14(7-10-23)13-2-4-15(5-3-13)17-19-21-22-20-17/h2-5,12,14,16H,6-11H2,1H3,(H,19,20,21,22)
InChIKeyAFHFQUBOFQLSRR-UHFFFAOYSA-N
XLogP2.00
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenyl)pyrrolidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 75497061
4-[4-(2H-tetrazol-5-yl)phenyl]piperidine
CID 84792848
5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole
CID 141283396
[(1S,2S)-2-methylcyclopropyl]-[4-[[4-(2H-tetrazol-5-yl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 166314413
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[4-(hydroxymethyl)piperidin-1-yl]-(2-methyloxolan-3-yl)methanone
CID 79759313
(2-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 79759463
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methyloxolan-3-yl)methanone
CID 103900749
[(2S)-2-[4-[2-methyl-5-(2H-tetrazol-5-yl)phenyl]phenyl]-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146471208
trans-(1R,2R)-N-[(3R)-oxolan-3-yl]-2-[4-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 166311794
2-(2-methyloxolane-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997295

Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone (CID 166314237) is (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone is CC1OCCC1C(=O)N1CCC(c2ccc(-c3nn[nH]n3)cc2)CC1.
What is the InChIKey of (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone?
The InChIKey is AFHFQUBOFQLSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12-16(8-11-25-12)18(24)23-9-6-14(7-10-23)13-2-4-15(5-3-13)17-19-21-22-20-17/h2-5,12,14,16H,6-11H2,1H3,(H,19,20,21,22).
What are the key properties of (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone?
(2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone has a molecular weight of 341.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-[4-[4-(2H-tetrazol-5-yl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166314237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).