[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C20H25N3O — CID 97004266

IUPAC[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1cc([C@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)n[nH]1
InChIInChI=1S/C20H25N3O/c1-14-12-19(22-21-14)16-8-5-11-23(13-16)20(24)18-10-4-7-15-6-2-3-9-17(15)18/h2-3,6,9,12,16,18H,4-5,7-8,10-11,13H2,1H3,(H,21,22)/t16-,18+/m0/s1
InChIKeyOCYOORRAIZEWIV-FUHWJXTLSA-N
MW323.44 g/mol
LogP3.54
Rot. Bonds2

About [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 97004266) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID97004266
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESCc1cc([C@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)n[nH]1
InChIInChI=1S/C20H25N3O/c1-14-12-19(22-21-14)16-8-5-11-23(13-16)20(24)18-10-4-7-15-6-2-3-9-17(15)18/h2-3,6,9,12,16,18H,4-5,7-8,10-11,13H2,1H3,(H,21,22)/t16-,18+/m0/s1
InChIKeyOCYOORRAIZEWIV-FUHWJXTLSA-N
XLogP3.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-3,4-dihydro-1H-isothiochromen-1-yl]-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514453
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95734380
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514506
(3-aminopiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119381033
[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95157079
2-(2,3-dihydro-1H-inden-5-yl)-1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514421
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95336246
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926857
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95158672
2-[benzyl(methyl)amino]-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 97069110

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 97004266) is [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is Cc1cc([C@H]2CCCN(C(=O)[C@@H]3CCCc4ccccc43)C2)n[nH]1.
What is the InChIKey of [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is OCYOORRAIZEWIV-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-12-19(22-21-14)16-8-5-11-23(13-16)20(24)18-10-4-7-15-6-2-3-9-17(15)18/h2-3,6,9,12,16,18H,4-5,7-8,10-11,13H2,1H3,(H,21,22)/t16-,18+/m0/s1.
What are the key properties of [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 97004266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).