2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide

C22H32N2O5 — CID 42241187

IUPAC2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H]2CCOC(C)(C)C2)c1
InChIInChI=1S/C22H32N2O5/c1-15(25)24-10-7-17(8-11-24)29-20-6-5-18(27-4)13-19(20)21(26)23-16-9-12-28-22(2,3)14-16/h5-6,13,16-17H,7-12,14H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyYZPWABDYZMLCBG-INIZCTEOSA-N
MW404.51 g/mol
LogP2.77
Rot. Bonds5

About 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide

2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide (PubChem CID 42241187) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
PubChem CID42241187
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H]2CCOC(C)(C)C2)c1
InChIInChI=1S/C22H32N2O5/c1-15(25)24-10-7-17(8-11-24)29-20-6-5-18(27-4)13-19(20)21(26)23-16-9-12-28-22(2,3)14-16/h5-6,13,16-17H,7-12,14H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyYZPWABDYZMLCBG-INIZCTEOSA-N
XLogP2.77
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide with MolForge

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Related Compounds

N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42241404
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
CID 42463230
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 42215995
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
CID 72887052
2-amino-N-(2,2-dimethyloxan-4-yl)-5-hydroxybenzamide
CID 107075856
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 72934525
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2,2-dimethyloxan-4-yl)pyrazole-4-carboxamide
CID 45219720
1-[4-[2-[(2S)-2-(2-hydroxyethyl)piperidine-1-carbonyl]-4-methoxyphenoxy]piperidin-1-yl]ethanone
CID 42096484
N-(2,2-dimethyloxan-4-yl)-4-hydroxy-2-methylbenzamide
CID 103867319
N-cyclohexyl-2,5-dimethoxybenzamide
CID 8573659
N-cyclopropyl-4-methoxy-2-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxybenzamide
CID 72864995

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide (CID 42241187) is 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide is COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)N[C@H]2CCOC(C)(C)C2)c1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide?
The InChIKey is YZPWABDYZMLCBG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-15(25)24-10-7-17(8-11-24)29-20-6-5-18(27-4)13-19(20)21(26)23-16-9-12-28-22(2,3)14-16/h5-6,13,16-17H,7-12,14H2,1-4H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide?
2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide is sourced from PubChem (CID 42241187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).