N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

C19H24F2N4O3 — CID 122675692

IUPACN-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H](C)CN3CCC[C@H](OC(F)F)C3)cc2)no1
InChIInChI=1S/C19H24F2N4O3/c1-12(10-25-9-3-4-16(11-25)27-19(20)21)22-18(26)15-7-5-14(6-8-15)17-23-13(2)28-24-17/h5-8,12,16,19H,3-4,9-11H2,1-2H3,(H,22,26)/t12-,16+/m1/s1
InChIKeyXRBCCSAYNPCCPS-WBMJQRKESA-N
MW394.42 g/mol
LogP2.87
Rot. Bonds7

About N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide

N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 122675692) has the molecular formula C19H24F2N4O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID122675692
Molecular FormulaC19H24F2N4O3
Molecular Weight394.42 g/mol
Exact Mass394.18
IUPAC NameN-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
SMILESCc1nc(-c2ccc(C(=O)N[C@H](C)CN3CCC[C@H](OC(F)F)C3)cc2)no1
InChIInChI=1S/C19H24F2N4O3/c1-12(10-25-9-3-4-16(11-25)27-19(20)21)22-18(26)15-7-5-14(6-8-15)17-23-13(2)28-24-17/h5-8,12,16,19H,3-4,9-11H2,1-2H3,(H,22,26)/t12-,16+/m1/s1
InChIKeyXRBCCSAYNPCCPS-WBMJQRKESA-N
XLogP2.87
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide (CID 122675692) is N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is Cc1nc(-c2ccc(C(=O)N[C@H](C)CN3CCC[C@H](OC(F)F)C3)cc2)no1.
What is the InChIKey of N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is XRBCCSAYNPCCPS-WBMJQRKESA-N. The full InChI is InChI=1S/C19H24F2N4O3/c1-12(10-25-9-3-4-16(11-25)27-19(20)21)22-18(26)15-7-5-14(6-8-15)17-23-13(2)28-24-17/h5-8,12,16,19H,3-4,9-11H2,1-2H3,(H,22,26)/t12-,16+/m1/s1.
What are the key properties of N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide?
N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 394.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(3S)-3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 122675692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).