(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone

C14H17N5O2 — CID 115874457

IUPAC(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C14H17N5O2/c1-14(21)7-2-8-19(9-14)13(20)11-5-3-10(4-6-11)12-15-17-18-16-12/h3-6,21H,2,7-9H2,1H3,(H,15,16,17,18)
InChIKeySZCHWFJIZYNYJR-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.85
Rot. Bonds2

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

(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 115874457) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID115874457
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
SMILESCC1(O)CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C1
InChIInChI=1S/C14H17N5O2/c1-14(21)7-2-8-19(9-14)13(20)11-5-3-10(4-6-11)12-15-17-18-16-12/h3-6,21H,2,7-9H2,1H3,(H,15,16,17,18)
InChIKeySZCHWFJIZYNYJR-UHFFFAOYSA-N
XLogP0.85
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethylphenyl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 71911473
8-[4-(2-methyl-2H-tetrazol-5-yl)benzoyl]-1-oxa-8-azaspiro[4.5]decane
CID 56918790
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(2-methyl-2H-tetrazol-5-yl)benzoyl]pyrrolidin-3-ol
CID 70736813
1-benzoyl-3-(1H-1,2,3,4-tetrazol-5-yl)piperidine
CID 110196473
1-(3-Methylbenzoyl)-3-(1H-1,2,3,4-tetrazol-5-YL)piperidine
CID 110196480
2-methyl-4-(4-{[4-(1H-tetrazol-5-yl)-1-piperidinyl]carbonyl}phenyl)-2-butanol
CID 70728168
N-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2H-tetrazol-5-yl)benzamide
CID 164627817
N-[(2-fluorophenyl)methyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17529932
N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 40402963
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 40402965
N-[1-(4-fluorophenyl)ethyl]-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 45799886
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-(2H-tetrazol-5-yl)benzamide
CID 107482934

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone (CID 115874457) is (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone is CC1(O)CCCN(C(=O)c2ccc(-c3nn[nH]n3)cc2)C1.
What is the InChIKey of (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is SZCHWFJIZYNYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-14(21)7-2-8-19(9-14)13(20)11-5-3-10(4-6-11)12-15-17-18-16-12/h3-6,21H,2,7-9H2,1H3,(H,15,16,17,18).
What are the key properties of (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone?
(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 287.32 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 115874457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).