N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide

C27H27N3O3 — CID 42473707

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C27H27N3O3/c31-26(29-25-12-9-19-4-1-2-6-24(19)25)20-7-10-22(11-8-20)33-23-13-16-30(17-14-23)27(32)21-5-3-15-28-18-21/h1-8,10-11,15,18,23,25H,9,12-14,16-17H2,(H,29,31)/t25-/m1/s1
InChIKeyCOUMZJRNCIERHH-RUZDIDTESA-N
MW441.53 g/mol
LogP4.18
Rot. Bonds5

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide (PubChem CID 42473707) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
PubChem CID42473707
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
SMILESO=C(N[C@@H]1CCc2ccccc21)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C27H27N3O3/c31-26(29-25-12-9-19-4-1-2-6-24(19)25)20-7-10-22(11-8-20)33-23-13-16-30(17-14-23)27(32)21-5-3-15-28-18-21/h1-8,10-11,15,18,23,25H,9,12-14,16-17H2,(H,29,31)/t25-/m1/s1
InChIKeyCOUMZJRNCIERHH-RUZDIDTESA-N
XLogP4.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide 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-cycloheptyl-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide
CID 126460807
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(dimethylsulfamoyl)piperidin-4-yl]oxybenzamide
CID 25296805
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 56796144
(4-pyridin-3-yloxypiperidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 90649725
4-(4-pyridin-3-yloxypiperidine-1-carbonyl)benzenesulfonamide
CID 77094306
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[6-(benzylamino)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 28766355
4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxy-2-(trifluoromethyl)benzonitrile
CID 155219080
N-(2,3-dihydro-1H-inden-1-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299494

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide (CID 42473707) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide is O=C(N[C@@H]1CCc2ccccc21)c1ccc(OC2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
The InChIKey is COUMZJRNCIERHH-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27N3O3/c31-26(29-25-12-9-19-4-1-2-6-24(19)25)20-7-10-22(11-8-20)33-23-13-16-30(17-14-23)27(32)21-5-3-15-28-18-21/h1-8,10-11,15,18,23,25H,9,12-14,16-17H2,(H,29,31)/t25-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide has a molecular weight of 441.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42473707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).