[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

C14H20N8O — CID 146038738

IUPAC[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1CCCCN1C1CN(C(=O)c2cc(-n3cnnn3)n[nH]2)C1
InChIInChI=1S/C14H20N8O/c1-10-4-2-3-5-21(10)11-7-20(8-11)14(23)12-6-13(17-16-12)22-9-15-18-19-22/h6,9-11H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyYTHGRIZGZQENHC-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.08
Rot. Bonds3

About [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 146038738) has the molecular formula C14H20N8O and a molecular weight of 316.37 g/mol. Its IUPAC name is [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
PubChem CID146038738
Molecular FormulaC14H20N8O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC Name[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC1CCCCN1C1CN(C(=O)c2cc(-n3cnnn3)n[nH]2)C1
InChIInChI=1S/C14H20N8O/c1-10-4-2-3-5-21(10)11-7-20(8-11)14(23)12-6-13(17-16-12)22-9-15-18-19-22/h6,9-11H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyYTHGRIZGZQENHC-UHFFFAOYSA-N
XLogP0.08
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,2S,8R,9S)-8-[(dimethylamino)methyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone;formic acid
CID 171338655
N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97437208
(3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146043386
ethyl (3aS,4S,5S,7aR)-5-methyl-2-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylate
CID 155508784
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146045778
[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-[1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazol-5-yl]methanone
CID 97197985
[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 164688071
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146042822
1'-[3-(tetrazol-1-yl)-1H-pyrazole-5-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 146045100
[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 170512709
2-(benzotriazol-2-yl)-1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]ethanone
CID 96579253
(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 125155690

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (CID 146038738) is [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is CC1CCCCN1C1CN(C(=O)c2cc(-n3cnnn3)n[nH]2)C1.
What is the InChIKey of [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is YTHGRIZGZQENHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8O/c1-10-4-2-3-5-21(10)11-7-20(8-11)14(23)12-6-13(17-16-12)22-9-15-18-19-22/h6,9-11H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
[3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 316.37 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpiperidin-1-yl)azetidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 146038738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).