N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

C22H32N2O5 — CID 42241404

IUPACN-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@@H]2CCOC(C)(C)C2)CC1
InChIInChI=1S/C22H32N2O5/c1-22(2)14-16(10-13-28-22)23-21(26)18-6-4-5-7-19(18)29-17-8-11-24(12-9-17)20(25)15-27-3/h4-7,16-17H,8-15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyQSEDAJIAYNSXMG-MRXNPFEDSA-N
MW404.51 g/mol
LogP2.39
Rot. Bonds6

About N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (PubChem CID 42241404) has the molecular formula C22H32N2O5 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
PubChem CID42241404
Molecular FormulaC22H32N2O5
Molecular Weight404.51 g/mol
Exact Mass404.23
IUPAC NameN-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@@H]2CCOC(C)(C)C2)CC1
InChIInChI=1S/C22H32N2O5/c1-22(2)14-16(10-13-28-22)23-21(26)18-6-4-5-7-19(18)29-17-8-11-24(12-9-17)20(25)15-27-3/h4-7,16-17H,8-15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyQSEDAJIAYNSXMG-MRXNPFEDSA-N
XLogP2.39
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide with MolForge

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Related Compounds

2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
CID 42241187
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
CID 42463230
N-[(4-fluorophenyl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42508020
2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 72926932
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72844684
2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033529
N-ethyl-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45186750
N-[(4R)-2,2-dimethyloxan-4-yl]-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 96544276
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
3-amino-N-(2,2-dimethyloxan-4-yl)-2-methylbenzamide
CID 83027416
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (CID 42241404) is N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is COCC(=O)N1CCC(Oc2ccccc2C(=O)N[C@@H]2CCOC(C)(C)C2)CC1.
What is the InChIKey of N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The InChIKey is QSEDAJIAYNSXMG-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H32N2O5/c1-22(2)14-16(10-13-28-22)23-21(26)18-6-4-5-7-19(18)29-17-8-11-24(12-9-17)20(25)15-27-3/h4-7,16-17H,8-15H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide has a molecular weight of 404.51 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42241404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).