4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide

C27H36N2O3 — CID 71163738

IUPAC4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
SMILESO=C(NC1CCC2CC3CC(C2)C1C3)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c30-26(28-25-8-1-17-13-18-15-21(14-17)24(25)16-18)19-4-6-22(7-5-19)32-23-9-11-29(12-10-23)27(31)20-2-3-20/h4-7,17-18,20-21,23-25H,1-3,8-16H2,(H,28,30)
InChIKeyPJESQZCWQIZVLP-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.41
Rot. Bonds5

About 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide (PubChem CID 71163738) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide.

Molecular Properties

Compound Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
PubChem CID71163738
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide
SMILESO=C(NC1CCC2CC3CC(C2)C1C3)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C27H36N2O3/c30-26(28-25-8-1-17-13-18-15-21(14-17)24(25)16-18)19-4-6-22(7-5-19)32-23-9-11-29(12-10-23)27(31)20-2-3-20/h4-7,17-18,20-21,23-25H,1-3,8-16H2,(H,28,30)
InChIKeyPJESQZCWQIZVLP-UHFFFAOYSA-N
XLogP4.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide with MolForge

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Related Compounds

1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146729
4-[4-(pyridin-2-yloxymethyl)cyclohexyl]oxy-N-[(7R,9R)-4-tricyclo[5.3.1.03,9]undecanyl]benzamide
CID 71163774
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylethyl)benzamide
CID 45216516
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The IUPAC name of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide (CID 71163738) is 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide.
What is the SMILES notation for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The canonical SMILES for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide is O=C(NC1CCC2CC3CC(C2)C1C3)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
The InChIKey is PJESQZCWQIZVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c30-26(28-25-8-1-17-13-18-15-21(14-17)24(25)16-18)19-4-6-22(7-5-19)32-23-9-11-29(12-10-23)27(31)20-2-3-20/h4-7,17-18,20-21,23-25H,1-3,8-16H2,(H,28,30).
What are the key properties of 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide?
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide has a molecular weight of 436.60 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(4-tricyclo[5.3.1.03,9]undecanyl)benzamide is sourced from PubChem (CID 71163738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).