1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C18H16Cl2F3N3O2 — CID 155526951

IUPAC1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)C1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16Cl2F3N3O2/c19-13-2-1-7-24-16(13)26-8-5-11(6-9-26)17(27)25-12-3-4-15(14(20)10-12)28-18(21,22)23/h1-4,7,10-11H,5-6,8-9H2,(H,25,27)
InChIKeyFLLGSBQLOXHLHM-UHFFFAOYSA-N
MW434.25 g/mol
LogP5.14
Rot. Bonds4

About 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 155526951) has the molecular formula C18H16Cl2F3N3O2 and a molecular weight of 434.25 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID155526951
Molecular FormulaC18H16Cl2F3N3O2
Molecular Weight434.25 g/mol
Exact Mass433.06
IUPAC Name1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)C1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16Cl2F3N3O2/c19-13-2-1-7-24-16(13)26-8-5-11(6-9-26)17(27)25-12-3-4-15(14(20)10-12)28-18(21,22)23/h1-4,7,10-11H,5-6,8-9H2,(H,25,27)
InChIKeyFLLGSBQLOXHLHM-UHFFFAOYSA-N
XLogP5.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 155526951) is 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)C1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is FLLGSBQLOXHLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2F3N3O2/c19-13-2-1-7-24-16(13)26-8-5-11(6-9-26)17(27)25-12-3-4-15(14(20)10-12)28-18(21,22)23/h1-4,7,10-11H,5-6,8-9H2,(H,25,27).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 434.25 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 155526951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).