2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

C22H32N2O5 — CID 91906166

IUPAC2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccc(OC)cc2C)CC1
InChIInChI=1S/C22H32N2O5/c1-16-14-19(28-3)4-5-20(16)22(26)23-10-6-17(7-11-23)24(21(25)15-27-2)18-8-12-29-13-9-18/h4-5,14,17-18H,6-13,15H2,1-3H3
InChIKeyMDXPISZDNUGJQG-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.26
Rot. Bonds6

About 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide

2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 91906166) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID91906166
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC Name2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESCOCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccc(OC)cc2C)CC1
InChIInChI=1S/C22H32N2O5/c1-16-14-19(28-3)4-5-20(16)22(26)23-10-6-17(7-11-23)24(21(25)15-27-2)18-8-12-29-13-9-18/h4-5,14,17-18H,6-13,15H2,1-3H3
InChIKeyMDXPISZDNUGJQG-UHFFFAOYSA-N
XLogP2.26
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 91916255
N-[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 164640906
[4-(1-hydroxyethyl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111463007
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111561506
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906172
1-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 50789338
[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 125144744
4-[[(3S)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870038
4-[[(3R)-1-(4-methoxy-2-methylbenzoyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95870039
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
(4-methoxy-2-methylphenyl)-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-1-yl]methanone
CID 53150018
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906153

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 91906166) is 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is COCC(=O)N(C1CCOCC1)C1CCN(C(=O)c2ccc(OC)cc2C)CC1.
What is the InChIKey of 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is MDXPISZDNUGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-16-14-19(28-3)4-5-20(16)22(26)23-10-6-17(7-11-23)24(21(25)15-27-2)18-8-12-29-13-9-18/h4-5,14,17-18H,6-13,15H2,1-3H3.
What are the key properties of 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 404.51 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(4-methoxy-2-methylbenzoyl)piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).