N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide

C23H34N2O5 — CID 42463230

IUPACN-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2)CC1
InChIInChI=1S/C23H34N2O5/c1-23(2)16-18(10-15-29-23)24-22(27)17-4-6-19(7-5-17)30-20-8-12-25(13-9-20)21(26)11-14-28-3/h4-7,18,20H,8-16H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyMULRCWPFFLNEMK-GOSISDBHSA-N
MW418.53 g/mol
LogP2.78
Rot. Bonds7

About N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide

N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide (PubChem CID 42463230) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
PubChem CID42463230
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC NameN-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2)CC1
InChIInChI=1S/C23H34N2O5/c1-23(2)16-18(10-15-29-23)24-22(27)17-4-6-19(7-5-17)30-20-8-12-25(13-9-20)21(26)11-14-28-3/h4-7,18,20H,8-16H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyMULRCWPFFLNEMK-GOSISDBHSA-N
XLogP2.78
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide with MolForge

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Related Compounds

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-pyrrolidin-3-ylbenzamide
CID 72921247
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021
N-[(4R)-2,2-dimethyloxan-4-yl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 42241404
3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
CID 42243815
2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
CID 42241187
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 24817383
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-methyl-N-[2-(oxan-2-yl)ethyl]benzamide
CID 45188135
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 42361309
3-(4-aminophenoxy)-N-(2,2-dimethyloxan-4-yl)propanamide
CID 83034462
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide (CID 42463230) is N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide is COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@@H]3CCOC(C)(C)C3)cc2)CC1.
What is the InChIKey of N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
The InChIKey is MULRCWPFFLNEMK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-23(2)16-18(10-15-29-23)24-22(27)17-4-6-19(7-5-17)30-20-8-12-25(13-9-20)21(26)11-14-28-3/h4-7,18,20H,8-16H2,1-3H3,(H,24,27)/t18-/m1/s1.
What are the key properties of N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide?
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide has a molecular weight of 418.53 g/mol, XLogP of 2.78, 7 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]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 42463230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).