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

C19H21F3N4O2 — CID 10200642

IUPAC(2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)C1
InChIInChI=1S/C19H21F3N4O2/c1-13-12-25(17-16(28-2)4-3-9-23-17)10-11-26(13)18(27)24-15-7-5-14(6-8-15)19(20,21)22/h3-9,13H,10-12H2,1-2H3,(H,24,27)/t13-/m1/s1
InChIKeyCKJXNZMQAUXIMI-CYBMUJFWSA-N
MW394.40 g/mol
LogP3.85
Rot. Bonds3

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

(2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 10200642) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID10200642
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name(2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCOc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)C1
InChIInChI=1S/C19H21F3N4O2/c1-13-12-25(17-16(28-2)4-3-9-23-17)10-11-26(13)18(27)24-15-7-5-14(6-8-15)19(20,21)22/h3-9,13H,10-12H2,1-2H3,(H,24,27)/t13-/m1/s1
InChIKeyCKJXNZMQAUXIMI-CYBMUJFWSA-N
XLogP3.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 10200642) is (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is COc1cccnc1N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](C)C1.
What is the InChIKey of (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is CKJXNZMQAUXIMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-13-12-25(17-16(28-2)4-3-9-23-17)10-11-26(13)18(27)24-15-7-5-14(6-8-15)19(20,21)22/h3-9,13H,10-12H2,1-2H3,(H,24,27)/t13-/m1/s1.
What are the key properties of (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
(2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 394.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-methoxy-2-pyridinyl)-2-methyl-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 10200642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).