[4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone

C19H25F2N3O2 — CID 166294328

IUPAC[4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
SMILESCC1=NN(c2ccc(C(=O)N3CCC(OCC(C)(F)F)CC3)cc2)CC1
InChIInChI=1S/C19H25F2N3O2/c1-14-7-12-24(22-14)16-5-3-15(4-6-16)18(25)23-10-8-17(9-11-23)26-13-19(2,20)21/h3-6,17H,7-13H2,1-2H3
InChIKeyOLNFHTHOGZQEEZ-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.55
Rot. Bonds5

About [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone

[4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone (PubChem CID 166294328) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
PubChem CID166294328
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name[4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
SMILESCC1=NN(c2ccc(C(=O)N3CCC(OCC(C)(F)F)CC3)cc2)CC1
InChIInChI=1S/C19H25F2N3O2/c1-14-7-12-24(22-14)16-5-3-15(4-6-16)18(25)23-10-8-17(9-11-23)26-13-19(2,20)21/h3-6,17H,7-13H2,1-2H3
InChIKeyOLNFHTHOGZQEEZ-UHFFFAOYSA-N
XLogP3.55
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone with MolForge

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Related Compounds

[1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55841224
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 99608820
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 46458288
[(2R)-2,4-dimethylpiperazin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone
CID 97094088
(2S,4S)-4-methoxy-1-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]pyrrolidine-2-carboxamide
CID 128983730
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111484572
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954
[4-(2-aminoethoxy)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 82701353
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 119661915
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 82701843
ethyl (2R)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]propanoate
CID 94779819

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
The IUPAC name of [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone (CID 166294328) is [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone.
What is the SMILES notation for [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
The canonical SMILES for [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone is CC1=NN(c2ccc(C(=O)N3CCC(OCC(C)(F)F)CC3)cc2)CC1.
What is the InChIKey of [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
The InChIKey is OLNFHTHOGZQEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c1-14-7-12-24(22-14)16-5-3-15(4-6-16)18(25)23-10-8-17(9-11-23)26-13-19(2,20)21/h3-6,17H,7-13H2,1-2H3.
What are the key properties of [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone?
[4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone has a molecular weight of 365.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoropropoxy)piperidin-1-yl]-[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]methanone is sourced from PubChem (CID 166294328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).