N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C19H19ClF3N3O2 — CID 155569590

IUPACN-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-28-16-5-4-13(11-15(16)20)25-18(27)12-6-9-26(10-7-12)17-14(19(21,22)23)3-2-8-24-17/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,25,27)
InChIKeyTVBNOOJZTIOFTN-UHFFFAOYSA-N
MW413.83 g/mol
LogP4.62
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 155569590) has the molecular formula C19H19ClF3N3O2 and a molecular weight of 413.83 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID155569590
Molecular FormulaC19H19ClF3N3O2
Molecular Weight413.83 g/mol
Exact Mass413.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3ncccc3C(F)(F)F)CC2)cc1Cl
InChIInChI=1S/C19H19ClF3N3O2/c1-28-16-5-4-13(11-15(16)20)25-18(27)12-6-9-26(10-7-12)17-14(19(21,22)23)3-2-8-24-17/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,25,27)
InChIKeyTVBNOOJZTIOFTN-UHFFFAOYSA-N
XLogP4.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 155569590) is N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3ncccc3C(F)(F)F)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is TVBNOOJZTIOFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O2/c1-28-16-5-4-13(11-15(16)20)25-18(27)12-6-9-26(10-7-12)17-14(19(21,22)23)3-2-8-24-17/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 413.83 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 155569590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).