1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

C22H34N2O2 — CID 71146729

IUPAC1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC(C2)C1C3)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H34N2O2/c25-21(16-6-8-24(9-7-16)22(26)17-2-1-3-17)23-20-5-4-14-10-15-12-18(11-14)19(20)13-15/h14-20H,1-13H2,(H,23,25)
InChIKeyJNUBTTZNRUWZBW-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.36
Rot. Bonds3

About 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (PubChem CID 71146729) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
PubChem CID71146729
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
SMILESO=C(NC1CCC2CC3CC(C2)C1C3)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C22H34N2O2/c25-21(16-6-8-24(9-7-16)22(26)17-2-1-3-17)23-20-5-4-14-10-15-12-18(11-14)19(20)13-15/h14-20H,1-13H2,(H,23,25)
InChIKeyJNUBTTZNRUWZBW-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide (CID 71146729) is 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is O=C(NC1CCC2CC3CC(C2)C1C3)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
The InChIKey is JNUBTTZNRUWZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c25-21(16-6-8-24(9-7-16)22(26)17-2-1-3-17)23-20-5-4-14-10-15-12-18(11-14)19(20)13-15/h14-20H,1-13H2,(H,23,25).
What are the key properties of 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(4-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide is sourced from PubChem (CID 71146729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).