4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide

C23H34N2O5 — CID 25461025

IUPAC4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC[C@@H]2COCCO2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H34N2O5/c1-27-22-14-17(23(26)24-15-20-16-28-12-13-29-20)6-7-21(22)30-19-8-10-25(11-9-19)18-4-2-3-5-18/h6-7,14,18-20H,2-5,8-13,15-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyRAXNDUKTMUZXLM-HXUWFJFHSA-N
MW418.53 g/mol
LogP2.63
Rot. Bonds7

About 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide

4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide (PubChem CID 25461025) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
PubChem CID25461025
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Name4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC[C@@H]2COCCO2)ccc1OC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H34N2O5/c1-27-22-14-17(23(26)24-15-20-16-28-12-13-29-20)6-7-21(22)30-19-8-10-25(11-9-19)18-4-2-3-5-18/h6-7,14,18-20H,2-5,8-13,15-16H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyRAXNDUKTMUZXLM-HXUWFJFHSA-N
XLogP2.63
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide with MolForge

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Related Compounds

4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 72856524
3-(1-cycloheptylpiperidin-4-yl)oxy-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 26408301
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 25491681
N-[[(3R,8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-4-ethoxy-3-methoxybenzamide
CID 94890643
4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxy-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 154900150
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
3-chloro-4-(1-cycloheptylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26407252
3-chloro-4-(1-cyclohexylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26406628
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 45201581
[4-(1-cyclopentylpiperidin-4-yl)oxy-3-methoxyphenyl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42462257
3-methoxy-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 18160322

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide?
The IUPAC name of 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide (CID 25461025) is 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide is COc1cc(C(=O)NC[C@@H]2COCCO2)ccc1OC1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide?
The InChIKey is RAXNDUKTMUZXLM-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-27-22-14-17(23(26)24-15-20-16-28-12-13-29-20)6-7-21(22)30-19-8-10-25(11-9-19)18-4-2-3-5-18/h6-7,14,18-20H,2-5,8-13,15-16H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide?
4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide has a molecular weight of 418.53 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpiperidin-4-yl)oxy-N-[[(2R)-1,4-dioxan-2-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 25461025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).