N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide

C22H24N2O4 — CID 51942835

IUPACN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C22H24N2O4/c1-14-9-15(2)12-24(11-14)22(26)17-5-3-4-6-18(17)23-21(25)16-7-8-19-20(10-16)28-13-27-19/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,23,25)/t14-,15+
InChIKeyJVFXEINGCGHNME-GASCZTMLSA-N
MW380.44 g/mol
LogP3.79
Rot. Bonds3

About N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51942835) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID51942835
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C22H24N2O4/c1-14-9-15(2)12-24(11-14)22(26)17-5-3-4-6-18(17)23-21(25)16-7-8-19-20(10-16)28-13-27-19/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,23,25)/t14-,15+
InChIKeyJVFXEINGCGHNME-GASCZTMLSA-N
XLogP3.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 51942841
4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
CID 46442929
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
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
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]acetamide
CID 55676703
N-[2-(propylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 6457856
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 55677135
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
N-(2-propan-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 669575

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide (CID 51942835) is N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide is C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JVFXEINGCGHNME-GASCZTMLSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14-9-15(2)12-24(11-14)22(26)17-5-3-4-6-18(17)23-21(25)16-7-8-19-20(10-16)28-13-27-19/h3-8,10,14-15H,9,11-13H2,1-2H3,(H,23,25)/t14-,15+.
What are the key properties of N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.79, 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]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51942835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).