4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide

C21H25N3O3 — CID 25352382

IUPAC4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-4-3-5-16(2)24(15)20(25)14-27-19-8-6-17(7-9-19)21(26)23-18-10-12-22-13-11-18/h6-13,15-16H,3-5,14H2,1-2H3,(H,22,23,26)/t15-,16+
InChIKeySNOILOIPKNYDQZ-IYBDPMFKSA-N
MW367.45 g/mol
LogP3.50
Rot. Bonds5

About 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide

4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide (PubChem CID 25352382) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
PubChem CID25352382
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15-4-3-5-16(2)24(15)20(25)14-27-19-8-6-17(7-9-19)21(26)23-18-10-12-22-13-11-18/h6-13,15-16H,3-5,14H2,1-2H3,(H,22,23,26)/t15-,16+
InChIKeySNOILOIPKNYDQZ-IYBDPMFKSA-N
XLogP3.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide with MolForge

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Related Compounds

methyl 2-[[4-[[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]amino]benzoyl]amino]acetate
CID 55396774
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 55635303
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 47016422
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
CID 24659652
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 55584640
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
methyl 3-[[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoyl]amino]-4-methylbenzoate
CID 26198255
N-[2-(dimethylamino)-2-oxoethyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55378182
N-[(2S)-1-aminopropan-2-yl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 120506249
N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9320436
(2-anilino-2-oxoethyl) 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 25431521

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide (CID 25352382) is 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide is C[C@@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
The InChIKey is SNOILOIPKNYDQZ-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-4-3-5-16(2)24(15)20(25)14-27-19-8-6-17(7-9-19)21(26)23-18-10-12-22-13-11-18/h6-13,15-16H,3-5,14H2,1-2H3,(H,22,23,26)/t15-,16+.
What are the key properties of 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide?
4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 25352382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).