N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C23H26N2O4 — CID 51942841

IUPACN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C23H26N2O4/c1-15-11-16(2)14-25(13-15)23(27)18-5-3-4-6-19(18)24-22(26)17-7-8-20-21(12-17)29-10-9-28-20/h3-8,12,15-16H,9-11,13-14H2,1-2H3,(H,24,26)/t15-,16+
InChIKeyXFAQCVVUXZCDBO-IYBDPMFKSA-N
MW394.47 g/mol
LogP3.83
Rot. Bonds3

About N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 51942841) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID51942841
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C23H26N2O4/c1-15-11-16(2)14-25(13-15)23(27)18-5-3-4-6-19(18)24-22(26)17-7-8-20-21(12-17)29-10-9-28-20/h3-8,12,15-16H,9-11,13-14H2,1-2H3,(H,24,26)/t15-,16+
InChIKeyXFAQCVVUXZCDBO-IYBDPMFKSA-N
XLogP3.83
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide with MolForge

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 55676703
4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
CID 46442929
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55677590
5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 46437154
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 95156642
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 79993755
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 51942841) is N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is XFAQCVVUXZCDBO-IYBDPMFKSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-11-16(2)14-25(13-15)23(27)18-5-3-4-6-19(18)24-22(26)17-7-8-20-21(12-17)29-10-9-28-20/h3-8,12,15-16H,9-11,13-14H2,1-2H3,(H,24,26)/t15-,16+.
What are the key properties of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 51942841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).