N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C18H17ClF3N3O — CID 608510

IUPACN-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H17ClF3N3O/c19-14-2-1-3-15(10-14)24-17(26)12-6-8-25(9-7-12)16-5-4-13(11-23-16)18(20,21)22/h1-5,10-12H,6-9H2,(H,24,26)
InChIKeyQIPHFCIJGGYUAB-UHFFFAOYSA-N
MW383.80 g/mol
LogP4.61
Rot. Bonds3

About N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 608510) has the molecular formula C18H17ClF3N3O and a molecular weight of 383.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID608510
Molecular FormulaC18H17ClF3N3O
Molecular Weight383.80 g/mol
Exact Mass383.10
IUPAC NameN-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H17ClF3N3O/c19-14-2-1-3-15(10-14)24-17(26)12-6-8-25(9-7-12)16-5-4-13(11-23-16)18(20,21)22/h1-5,10-12H,6-9H2,(H,24,26)
InChIKeyQIPHFCIJGGYUAB-UHFFFAOYSA-N
XLogP4.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 608510) is N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is QIPHFCIJGGYUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O/c19-14-2-1-3-15(10-14)24-17(26)12-6-8-25(9-7-12)16-5-4-13(11-23-16)18(20,21)22/h1-5,10-12H,6-9H2,(H,24,26).
What are the key properties of N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 383.80 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 608510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).