N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide

C23H28N2O4 — CID 9320436

IUPACN-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C23H28N2O4/c1-16-7-6-8-17(2)25(16)22(26)15-29-19-13-11-18(12-14-19)24-23(27)20-9-4-5-10-21(20)28-3/h4-5,9-14,16-17H,6-8,15H2,1-3H3,(H,24,27)/t16-,17-/m1/s1
InChIKeyMNKYLEXLJHOLFM-IAGOWNOFSA-N
MW396.49 g/mol
LogP4.12
Rot. Bonds6

About N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide

N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide (PubChem CID 9320436) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide
PubChem CID9320436
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1
InChIInChI=1S/C23H28N2O4/c1-16-7-6-8-17(2)25(16)22(26)15-29-19-13-11-18(12-14-19)24-23(27)20-9-4-5-10-21(20)28-3/h4-5,9-14,16-17H,6-8,15H2,1-3H3,(H,24,27)/t16-,17-/m1/s1
InChIKeyMNKYLEXLJHOLFM-IAGOWNOFSA-N
XLogP4.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9320007
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 30045895
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[6-(2-methoxyethoxy)-3-pyridinyl]benzamide
CID 55635303
2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
N-benzyl-2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7981693
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530
(2-anilino-2-oxoethyl) 4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate
CID 25431521
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
2-methoxy-N-[4-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]phenyl]benzamide
CID 40810648
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
N-(2-aminophenyl)-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 119421973

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide (CID 9320436) is N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1.
What is the InChIKey of N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The InChIKey is MNKYLEXLJHOLFM-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16-7-6-8-17(2)25(16)22(26)15-29-19-13-11-18(12-14-19)24-23(27)20-9-4-5-10-21(20)28-3/h4-5,9-14,16-17H,6-8,15H2,1-3H3,(H,24,27)/t16-,17-/m1/s1.
What are the key properties of N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide?
N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide has a molecular weight of 396.49 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 9320436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).