N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide

C21H25N5O4 — CID 51646410

IUPACN-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12
InChIInChI=1S/C21H25N5O4/c1-13(25-19(27)14-2-3-16-17(10-14)30-12-29-16)20(28)26-8-5-21(6-9-26)18-15(4-7-24-21)22-11-23-18/h2-3,10-11,13,24H,4-9,12H2,1H3,(H,22,23)(H,25,27)/t13-/m1/s1
InChIKeyLYDRKLLRJPSPQV-CYBMUJFWSA-N
MW411.46 g/mol
LogP0.92
Rot. Bonds3

About N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide

N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51646410) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID51646410
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC NameN-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12
InChIInChI=1S/C21H25N5O4/c1-13(25-19(27)14-2-3-16-17(10-14)30-12-29-16)20(28)26-8-5-21(6-9-26)18-15(4-7-24-21)22-11-23-18/h2-3,10-11,13,24H,4-9,12H2,1H3,(H,22,23)(H,25,27)/t13-/m1/s1
InChIKeyLYDRKLLRJPSPQV-CYBMUJFWSA-N
XLogP0.92
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide (CID 51646410) is N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)NCCc1[nH]cnc12.
What is the InChIKey of N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LYDRKLLRJPSPQV-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-13(25-19(27)14-2-3-16-17(10-14)30-12-29-16)20(28)26-8-5-21(6-9-26)18-15(4-7-24-21)22-11-23-18/h2-3,10-11,13,24H,4-9,12H2,1H3,(H,22,23)(H,25,27)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide?
N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4,4'-piperidine]-1'-ylpropan-2-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51646410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).