2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

C24H38N2O4 — CID 42403030

IUPAC2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H]2CCCC(C)(C)C2)CC1
InChIInChI=1S/C24H38N2O4/c1-24(2)11-5-6-18(17-24)26-13-9-19(10-14-26)30-22-16-20(29-4)7-8-21(22)23(27)25-12-15-28-3/h7-8,16,18-19H,5-6,9-15,17H2,1-4H3,(H,25,27)/t18-/m1/s1
InChIKeyCWFYGKSBPLIVAP-GOSISDBHSA-N
MW418.58 g/mol
LogP3.88
Rot. Bonds8

About 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 42403030) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID42403030
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H]2CCCC(C)(C)C2)CC1
InChIInChI=1S/C24H38N2O4/c1-24(2)11-5-6-18(17-24)26-13-9-19(10-14-26)30-22-16-20(29-4)7-8-21(22)23(27)25-12-15-28-3/h7-8,16,18-19H,5-6,9-15,17H2,1-4H3,(H,25,27)/t18-/m1/s1
InChIKeyCWFYGKSBPLIVAP-GOSISDBHSA-N
XLogP3.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide with MolForge

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 26316423
4-methoxy-N-(2-methoxyethyl)-2-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25458681
4-methoxy-N-(2-methoxyethyl)-2-[1-[(2S)-5-methylhex-5-en-2-yl]piperidin-4-yl]oxybenzamide
CID 25369057
2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 26406468
2-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42298282
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25457226
2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide
CID 25384356
2-(1-cyclopentylpiperidin-4-yl)oxy-N-(2-hydroxy-3-methoxypropyl)-5-methoxybenzamide
CID 56700795
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-(1-methylcyclopropyl)benzamide
CID 72934525
[2-(1-cyclopentylpiperidin-4-yl)oxy-4-methoxyphenyl]-pyrrolidin-1-ylmethanone
CID 42566083
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-(3,3-dimethylcyclohexyl)piperidin-4-yl]oxybenzamide
CID 45193746

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide (CID 42403030) is 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(OC)cc1OC1CCN([C@@H]2CCCC(C)(C)C2)CC1.
What is the InChIKey of 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is CWFYGKSBPLIVAP-GOSISDBHSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-24(2)11-5-6-18(17-24)26-13-9-19(10-14-26)30-22-16-20(29-4)7-8-21(22)23(27)25-12-15-28-3/h7-8,16,18-19H,5-6,9-15,17H2,1-4H3,(H,25,27)/t18-/m1/s1.
What are the key properties of 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide?
2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 418.58 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1R)-3,3-dimethylcyclohexyl]piperidin-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 42403030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).