4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C23H36N2O4 — CID 45194364

IUPAC4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCCO2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C23H36N2O4/c1-17(2)25-12-10-19(11-13-25)29-22-15-18(8-9-21(22)27-4)23(26)24(3)16-20-7-5-6-14-28-20/h8-9,15,17,19-20H,5-7,10-14,16H2,1-4H3
InChIKeyFRQBEIIIKFSJOM-UHFFFAOYSA-N
MW404.55 g/mol
LogP3.59
Rot. Bonds7

About 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 45194364) has the molecular formula C23H36N2O4 and a molecular weight of 404.55 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID45194364
Molecular FormulaC23H36N2O4
Molecular Weight404.55 g/mol
Exact Mass404.27
IUPAC Name4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CCCCO2)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C23H36N2O4/c1-17(2)25-12-10-19(11-13-25)29-22-15-18(8-9-21(22)27-4)23(26)24(3)16-20-7-5-6-14-28-20/h8-9,15,17,19-20H,5-7,10-14,16H2,1-4H3
InChIKeyFRQBEIIIKFSJOM-UHFFFAOYSA-N
XLogP3.59
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 42473774
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
3-(1-acetylpiperidin-4-yl)oxy-N-(3-cyclopentylpropyl)-4-methoxy-N-methylbenzamide
CID 24818955
methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
CID 42393723
N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 25292140
1-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]piperidine-4-carbonitrile
CID 72921915
4-cyclopentyloxy-3-methoxy-N-methyl-N-(2-oxopropyl)benzamide
CID 130184757
2-butan-2-yloxy-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 86782770
N-ethyl-N-methyl-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
CID 69061667
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 45194364) is 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is COc1ccc(C(=O)N(C)CC2CCCCO2)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is FRQBEIIIKFSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4/c1-17(2)25-12-10-19(11-13-25)29-22-15-18(8-9-21(22)27-4)23(26)24(3)16-20-7-5-6-14-28-20/h8-9,15,17,19-20H,5-7,10-14,16H2,1-4H3.
What are the key properties of 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 404.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 45194364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).