6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide

C20H21F2N3O3 — CID 91904349

IUPAC6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc1
InChIInChI=1S/C20H21F2N3O3/c1-24(2)19(26)14-4-6-18(23-12-14)28-15-7-9-25(10-8-15)20(27)13-3-5-16(21)17(22)11-13/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyZCJOGZGLNHBJEV-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.75
Rot. Bonds4

About 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide

6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide (PubChem CID 91904349) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
PubChem CID91904349
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc1
InChIInChI=1S/C20H21F2N3O3/c1-24(2)19(26)14-4-6-18(23-12-14)28-15-7-9-25(10-8-15)20(27)13-3-5-16(21)17(22)11-13/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyZCJOGZGLNHBJEV-UHFFFAOYSA-N
XLogP2.75
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide (CID 91904349) is 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1ccc(OC2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc1.
What is the InChIKey of 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is ZCJOGZGLNHBJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-24(2)19(26)14-4-6-18(23-12-14)28-15-7-9-25(10-8-15)20(27)13-3-5-16(21)17(22)11-13/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide?
6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,4-difluorobenzoyl)piperidin-4-yl]oxy-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 91904349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).