[2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone

C20H23N5O2 — CID 46977921

IUPAC[2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
SMILESCOc1cccc(CCC2CCCCN2C(=O)c2cccn3nnnc23)c1
InChIInChI=1S/C20H23N5O2/c1-27-17-8-4-6-15(14-17)10-11-16-7-2-3-12-24(16)20(26)18-9-5-13-25-19(18)21-22-23-25/h4-6,8-9,13-14,16H,2-3,7,10-12H2,1H3
InChIKeyNHJQUHLJWLMOSR-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.76
Rot. Bonds5

About [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone

[2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone (PubChem CID 46977921) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone.

Molecular Properties

Compound Name[2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
PubChem CID46977921
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
SMILESCOc1cccc(CCC2CCCCN2C(=O)c2cccn3nnnc23)c1
InChIInChI=1S/C20H23N5O2/c1-27-17-8-4-6-15(14-17)10-11-16-7-2-3-12-24(16)20(26)18-9-5-13-25-19(18)21-22-23-25/h4-6,8-9,13-14,16H,2-3,7,10-12H2,1H3
InChIKeyNHJQUHLJWLMOSR-UHFFFAOYSA-N
XLogP2.76
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclobutylmethyl)piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 154843796
[(2S)-2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 92626793
[(2S)-2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
CID 92626880
2-(2-hydroxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 108901080
2-(3-methoxyphenyl)-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125009146
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 70786804
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 43421553
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 66262478
1-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 96571230
(3-ethylsulfanylazepan-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 126828433
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
(1-methylpyrrol-2-yl)-[(2S)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97084722

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The IUPAC name of [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone (CID 46977921) is [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone.
What is the SMILES notation for [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The canonical SMILES for [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone is COc1cccc(CCC2CCCCN2C(=O)c2cccn3nnnc23)c1.
What is the InChIKey of [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
The InChIKey is NHJQUHLJWLMOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-17-8-4-6-15(14-17)10-11-16-7-2-3-12-24(16)20(26)18-9-5-13-25-19(18)21-22-23-25/h4-6,8-9,13-14,16H,2-3,7,10-12H2,1H3.
What are the key properties of [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone?
[2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone is sourced from PubChem (CID 46977921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).