(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C18H17Cl2F3N4O — CID 58665269

IUPAC(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(Cl)cc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17Cl2F3N4O/c1-11-10-26(16-15(20)8-13(19)9-24-16)6-7-27(11)17(28)25-14-4-2-12(3-5-14)18(21,22)23/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)/t11-/m1/s1
InChIKeyGCBDNYNAFFCAPO-LLVKDONJSA-N
MW433.26 g/mol
LogP5.15
Rot. Bonds2

About (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 58665269) has the molecular formula C18H17Cl2F3N4O and a molecular weight of 433.26 g/mol. Its IUPAC name is (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID58665269
Molecular FormulaC18H17Cl2F3N4O
Molecular Weight433.26 g/mol
Exact Mass432.07
IUPAC Name(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESC[C@@H]1CN(c2ncc(Cl)cc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H17Cl2F3N4O/c1-11-10-26(16-15(20)8-13(19)9-24-16)6-7-27(11)17(28)25-14-4-2-12(3-5-14)18(21,22)23/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)/t11-/m1/s1
InChIKeyGCBDNYNAFFCAPO-LLVKDONJSA-N
XLogP5.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.26
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 58665269) is (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is C[C@@H]1CN(c2ncc(Cl)cc2Cl)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is GCBDNYNAFFCAPO-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl2F3N4O/c1-11-10-26(16-15(20)8-13(19)9-24-16)6-7-27(11)17(28)25-14-4-2-12(3-5-14)18(21,22)23/h2-5,8-9,11H,6-7,10H2,1H3,(H,25,28)/t11-/m1/s1.
What are the key properties of (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
(2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 433.26 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3,5-dichloro-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 58665269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).