[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone

C19H27FN4O — CID 78083705

IUPAC[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCN1CCC2NNC(C(=O)N3CCCCC3c3ccc(F)cc3)C2C1
InChIInChI=1S/C19H27FN4O/c1-23-11-9-16-15(12-23)18(22-21-16)19(25)24-10-3-2-4-17(24)13-5-7-14(20)8-6-13/h5-8,15-18,21-22H,2-4,9-12H2,1H3
InChIKeyNTQXPRGJIRECAU-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.68
Rot. Bonds2

About [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone

[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone (PubChem CID 78083705) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
PubChem CID78083705
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone
SMILESCN1CCC2NNC(C(=O)N3CCCCC3c3ccc(F)cc3)C2C1
InChIInChI=1S/C19H27FN4O/c1-23-11-9-16-15(12-23)18(22-21-16)19(25)24-10-3-2-4-17(24)13-5-7-14(20)8-6-13/h5-8,15-18,21-22H,2-4,9-12H2,1H3
InChIKeyNTQXPRGJIRECAU-UHFFFAOYSA-N
XLogP1.68
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone with MolForge

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Related Compounds

(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 134127697
3-(4-fluorophenyl)-5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine
CID 75007477
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 95729352
[2-(4-fluorophenyl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120637114
2-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]ethanone;hydrochloride
CID 119338691
3,3-difluoro-1-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]butan-1-one
CID 124890583
[2-(4-fluorophenyl)piperidin-1-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 131911013
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
2-[4-[(2S)-2-(4-fluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97142895
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 70754050

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The IUPAC name of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone (CID 78083705) is [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone.
What is the SMILES notation for [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The canonical SMILES for [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone is CN1CCC2NNC(C(=O)N3CCCCC3c3ccc(F)cc3)C2C1.
What is the InChIKey of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
The InChIKey is NTQXPRGJIRECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-23-11-9-16-15(12-23)18(22-21-16)19(25)24-10-3-2-4-17(24)13-5-7-14(20)8-6-13/h5-8,15-18,21-22H,2-4,9-12H2,1H3.
What are the key properties of [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone?
[2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone has a molecular weight of 346.45 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)piperidin-1-yl]-(5-methyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl)methanone is sourced from PubChem (CID 78083705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).