N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide

C25H34N2O4 — CID 42567551

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C25H34N2O4/c1-30-21-9-10-23(31-20-12-15-27(16-13-20)25(29)19-7-8-19)22(17-21)24(28)26-14-11-18-5-3-2-4-6-18/h5,9-10,17,19-20H,2-4,6-8,11-16H2,1H3,(H,26,28)
InChIKeyJLDVJRKBHSLIMS-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide (PubChem CID 42567551) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide
PubChem CID42567551
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCC2=CCCCC2)c1
InChIInChI=1S/C25H34N2O4/c1-30-21-9-10-23(31-20-12-15-27(16-13-20)25(29)19-7-8-19)22(17-21)24(28)26-14-11-18-5-3-2-4-6-18/h5,9-10,17,19-20H,2-4,6-8,11-16H2,1H3,(H,26,28)
InChIKeyJLDVJRKBHSLIMS-UHFFFAOYSA-N
XLogP4.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2,5-difluorophenyl)methyl]-5-methoxybenzamide
CID 25277673
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
1-(cyclobutanecarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-4-carboxamide
CID 113003190
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 42215995
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 42473774
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(4-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146370
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25469750
2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486788
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188452

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide (CID 42567551) is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide is COc1ccc(OC2CCN(C(=O)C3CC3)CC2)c(C(=O)NCCC2=CCCCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide?
The InChIKey is JLDVJRKBHSLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-30-21-9-10-23(31-20-12-15-27(16-13-20)25(29)19-7-8-19)22(17-21)24(28)26-14-11-18-5-3-2-4-6-18/h5,9-10,17,19-20H,2-4,6-8,11-16H2,1H3,(H,26,28).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide has a molecular weight of 426.56 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxybenzamide is sourced from PubChem (CID 42567551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).