(2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide

C18H25F3N4O2 — CID 167773719

IUPAC(2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C
InChIInChI=1S/C18H25F3N4O2/c1-12-11-24(14-5-9-27-10-6-14)7-8-25(12)17(26)23-15-3-4-16(18(19,20)21)22-13(15)2/h3-4,12,14H,5-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyFLWPVERAYLZRTC-LBPRGKRZSA-N
MW386.42 g/mol
LogP3.13
Rot. Bonds2

About (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide

(2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 167773719) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID167773719
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC Name(2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C
InChIInChI=1S/C18H25F3N4O2/c1-12-11-24(14-5-9-27-10-6-14)7-8-25(12)17(26)23-15-3-4-16(18(19,20)21)22-13(15)2/h3-4,12,14H,5-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyFLWPVERAYLZRTC-LBPRGKRZSA-N
XLogP3.13
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide (CID 167773719) is (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide is Cc1nc(C(F)(F)F)ccc1NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is FLWPVERAYLZRTC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-12-11-24(14-5-9-27-10-6-14)7-8-25(12)17(26)23-15-3-4-16(18(19,20)21)22-13(15)2/h3-4,12,14H,5-11H2,1-2H3,(H,23,26)/t12-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
(2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167773719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).