N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide

C26H35Cl2N3O2 — CID 70266571

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl)NC12CC3CCCC(C1)C(C3)C2
InChIInChI=1S/C26H35Cl2N3O2/c27-21-8-7-19(23(28)11-21)16-29-25(33)31-9-2-1-6-22(31)12-24(32)30-26-13-17-4-3-5-18(14-26)20(10-17)15-26/h7-8,11,17-18,20,22H,1-6,9-10,12-16H2,(H,29,33)(H,30,32)
InChIKeyAGKKXFRTOIQSFB-UHFFFAOYSA-N
MW492.49 g/mol
LogP5.92
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide (PubChem CID 70266571) has the molecular formula C26H35Cl2N3O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide
PubChem CID70266571
Molecular FormulaC26H35Cl2N3O2
Molecular Weight492.49 g/mol
Exact Mass491.21
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide
SMILESO=C(CC1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl)NC12CC3CCCC(C1)C(C3)C2
InChIInChI=1S/C26H35Cl2N3O2/c27-21-8-7-19(23(28)11-21)16-29-25(33)31-9-2-1-6-22(31)12-24(32)30-26-13-17-4-3-5-18(14-26)20(10-17)15-26/h7-8,11,17-18,20,22H,1-6,9-10,12-16H2,(H,29,33)(H,30,32)
InChIKeyAGKKXFRTOIQSFB-UHFFFAOYSA-N
XLogP5.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.49
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide (CID 70266571) is N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide is O=C(CC1CCCCN1C(=O)NCc1ccc(Cl)cc1Cl)NC12CC3CCCC(C1)C(C3)C2.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is AGKKXFRTOIQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35Cl2N3O2/c27-21-8-7-19(23(28)11-21)16-29-25(33)31-9-2-1-6-22(31)12-24(32)30-26-13-17-4-3-5-18(14-26)20(10-17)15-26/h7-8,11,17-18,20,22H,1-6,9-10,12-16H2,(H,29,33)(H,30,32).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 492.49 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[2-oxo-2-(1-tricyclo[5.3.1.03,9]undecanylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 70266571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).