[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

C20H23N5O — CID 95553487

IUPAC[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1
InChIInChI=1S/C20H23N5O/c1-15-5-2-3-7-17(15)9-8-16-6-4-11-24(14-16)20(26)18-10-12-25-19(13-18)21-22-23-25/h2-3,5,7,10,12-13,16H,4,6,8-9,11,14H2,1H3/t16-/m1/s1
InChIKeySQOZLZFCAZUDMT-MRXNPFEDSA-N
MW349.44 g/mol
LogP2.92
Rot. Bonds4

About [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone

[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (PubChem CID 95553487) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
PubChem CID95553487
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
SMILESCc1ccccc1CC[C@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1
InChIInChI=1S/C20H23N5O/c1-15-5-2-3-7-17(15)9-8-16-6-4-11-24(14-16)20(26)18-10-12-25-19(13-18)21-22-23-25/h2-3,5,7,10,12-13,16H,4,6,8-9,11,14H2,1H3/t16-/m1/s1
InChIKeySQOZLZFCAZUDMT-MRXNPFEDSA-N
XLogP2.92
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 42361597
(3-hydroxy-4-methylphenyl)-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95555458
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 26407024
1-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-methylsulfanylethanone
CID 25386216
2-cyclopropyl-1-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]ethanone
CID 26390637
[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 29028808
1-[5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 45220879
5-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95549172
N-[[(3R)-1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 126424203
(1-methylcyclopropyl)-[(3R)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 25458378
2-methyl-5-[3-[2-(2-methylphenyl)ethyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 56878773
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56860981

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The IUPAC name of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone (CID 95553487) is [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone.
What is the SMILES notation for [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The canonical SMILES for [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is Cc1ccccc1CC[C@H]1CCCN(C(=O)c2ccn3nnnc3c2)C1.
What is the InChIKey of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
The InChIKey is SQOZLZFCAZUDMT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15-5-2-3-7-17(15)9-8-16-6-4-11-24(14-16)20(26)18-10-12-25-19(13-18)21-22-23-25/h2-3,5,7,10,12-13,16H,4,6,8-9,11,14H2,1H3/t16-/m1/s1.
What are the key properties of [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone?
[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone is sourced from PubChem (CID 95553487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).