[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C16H24F2N4O2 — CID 136586354

IUPAC[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1C(F)F
InChIInChI=1S/C16H24F2N4O2/c1-20-14(15(17)18)9-13(19-20)16(23)22-4-2-3-12(11-22)10-21-5-7-24-8-6-21/h9,12,15H,2-8,10-11H2,1H3/t12-/m0/s1
InChIKeyADPVVKMTUANGNJ-LBPRGKRZSA-N
MW342.39 g/mol
LogP1.54
Rot. Bonds4

About [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 136586354) has the molecular formula C16H24F2N4O2 and a molecular weight of 342.39 g/mol. Its IUPAC name is [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID136586354
Molecular FormulaC16H24F2N4O2
Molecular Weight342.39 g/mol
Exact Mass342.19
IUPAC Name[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1C(F)F
InChIInChI=1S/C16H24F2N4O2/c1-20-14(15(17)18)9-13(19-20)16(23)22-4-2-3-12(11-22)10-21-5-7-24-8-6-21/h9,12,15H,2-8,10-11H2,1H3/t12-/m0/s1
InChIKeyADPVVKMTUANGNJ-LBPRGKRZSA-N
XLogP1.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126809350
[3-(morpholin-4-ylmethyl)piperidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 45174429
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 25301894
(2R)-2-amino-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 119875808
(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 124877286
2-hydroxy-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-phenylethanone
CID 111464634
(2,3-dimethyl-5-methylsulfonylphenyl)-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 154755820
[3-(methylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119489882
4-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 126446645
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126803146
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
(2S)-2-(3-methyl-4-propan-2-ylphenoxy)-1-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 95319915

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 136586354) is [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cn1nc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)cc1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ADPVVKMTUANGNJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24F2N4O2/c1-20-14(15(17)18)9-13(19-20)16(23)22-4-2-3-12(11-22)10-21-5-7-24-8-6-21/h9,12,15H,2-8,10-11H2,1H3/t12-/m0/s1.
What are the key properties of [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 342.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 136586354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).