[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

C19H23N3O — CID 95158672

IUPAC[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESO=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C19H23N3O/c23-19(18-10-3-7-15-6-1-2-9-17(15)18)21-12-4-8-16(14-21)22-13-5-11-20-22/h1-2,5-6,9,11,13,16,18H,3-4,7-8,10,12,14H2/t16-,18-/m1/s1
InChIKeyIRFQUXIKVSMQSW-SJLPKXTDSA-N
MW309.41 g/mol
LogP3.17
Rot. Bonds2

About [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone

[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (PubChem CID 95158672) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
PubChem CID95158672
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
SMILESO=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H](n2cccn2)C1
InChIInChI=1S/C19H23N3O/c23-19(18-10-3-7-15-6-1-2-9-17(15)18)21-12-4-8-16(14-21)22-13-5-11-20-22/h1-2,5-6,9,11,13,16,18H,3-4,7-8,10,12,14H2/t16-,18-/m1/s1
InChIKeyIRFQUXIKVSMQSW-SJLPKXTDSA-N
XLogP3.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone with MolForge

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Related Compounds

[(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
[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95336246
[(1S)-2,3-dihydro-1H-inden-1-yl]-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736781
(3-aminopiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119381033
[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 95768730
1-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55810960
[(3S)-3-aminopyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone;hydrochloride
CID 119934524
[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 100840144
3-[(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]piperidin-3-yl]propanoic acid
CID 125118153
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 97004266
(3-aminoazetidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63755635
(4-hydroxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114501421

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The IUPAC name of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone (CID 95158672) is [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone.
What is the SMILES notation for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The canonical SMILES for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H](n2cccn2)C1.
What is the InChIKey of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
The InChIKey is IRFQUXIKVSMQSW-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(18-10-3-7-15-6-1-2-9-17(15)18)21-12-4-8-16(14-21)22-13-5-11-20-22/h1-2,5-6,9,11,13,16,18H,3-4,7-8,10,12,14H2/t16-,18-/m1/s1.
What are the key properties of [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone?
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-pyrazol-1-ylpiperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone is sourced from PubChem (CID 95158672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).