[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

C16H18N8O2 — CID 146042822

IUPAC[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-n2cnnn2)n[nH]1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C16H18N8O2/c25-16(14-8-15(20-19-14)24-11-18-21-22-24)23-6-3-13(4-7-23)26-10-12-2-1-5-17-9-12/h1-2,5,8-9,11,13H,3-4,6-7,10H2,(H,19,20)
InChIKeyNKRSKMUSFOEPEL-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.60
Rot. Bonds5

About [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 146042822) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
PubChem CID146042822
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC Name[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-n2cnnn2)n[nH]1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C16H18N8O2/c25-16(14-8-15(20-19-14)24-11-18-21-22-24)23-6-3-13(4-7-23)26-10-12-2-1-5-17-9-12/h1-2,5,8-9,11,13H,3-4,6-7,10H2,(H,19,20)
InChIKeyNKRSKMUSFOEPEL-UHFFFAOYSA-N
XLogP0.60
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70755834
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
CID 146045778
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
3-(1H-benzimidazol-2-yl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70764362
(2,3-difluoro-6-methoxyphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70748748
(5-fluoro-2-methylphenyl)-[(3S)-3-(pyridin-3-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96529742
[5-(imidazol-1-ylmethyl)furan-2-yl]-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70746608

Frequently Asked Questions

What is the IUPAC name of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (CID 146042822) is [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is O=C(c1cc(-n2cnnn2)n[nH]1)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is NKRSKMUSFOEPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c25-16(14-8-15(20-19-14)24-11-18-21-22-24)23-6-3-13(4-7-23)26-10-12-2-1-5-17-9-12/h1-2,5,8-9,11,13H,3-4,6-7,10H2,(H,19,20).
What are the key properties of [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 354.37 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridin-3-ylmethoxy)piperidin-1-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 146042822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).