N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide

C26H28N4O5 — CID 45214373

IUPACN-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide
SMILESCc1oc(-c2cccc(NC(=O)C3CCCN(C)C3)c2)nc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H28N4O5/c1-16-21(13-27-24(31)17-8-9-22-23(12-17)34-15-33-22)29-26(35-16)18-5-3-7-20(11-18)28-25(32)19-6-4-10-30(2)14-19/h3,5,7-9,11-12,19H,4,6,10,13-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyURGGBUBDTQLXAY-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.59
Rot. Bonds6

About N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide

N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide (PubChem CID 45214373) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide
PubChem CID45214373
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC NameN-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide
SMILESCc1oc(-c2cccc(NC(=O)C3CCCN(C)C3)c2)nc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H28N4O5/c1-16-21(13-27-24(31)17-8-9-22-23(12-17)34-15-33-22)29-26(35-16)18-5-3-7-20(11-18)28-25(32)19-6-4-10-30(2)14-19/h3,5,7-9,11-12,19H,4,6,10,13-15H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyURGGBUBDTQLXAY-UHFFFAOYSA-N
XLogP3.59
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 110643698
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 110641097
N-[3-[[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30778625
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 3912982
N-[3-[4-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 118753949
N-(1,3-benzodioxol-5-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110356158
N-[3-[3-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazol-5-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53130602
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077628
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110407009
2-methyl-N-[3-[5-methyl-4-[[3-(2-oxopiperidin-1-yl)propanoylamino]methyl]-1,3-oxazol-2-yl]phenyl]furan-3-carboxamide
CID 118754272

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide (CID 45214373) is N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide is Cc1oc(-c2cccc(NC(=O)C3CCCN(C)C3)c2)nc1CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is URGGBUBDTQLXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-16-21(13-27-24(31)17-8-9-22-23(12-17)34-15-33-22)29-26(35-16)18-5-3-7-20(11-18)28-25(32)19-6-4-10-30(2)14-19/h3,5,7-9,11-12,19H,4,6,10,13-15H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide?
N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(1,3-benzodioxole-5-carbonylamino)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 45214373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).