(4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone

C19H27F3N4O — CID 11383530

IUPAC(4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H27F3N4O/c1-14(2)24-9-11-26(12-10-24)18(27)15-5-7-25(8-6-15)16-3-4-17(23-13-16)19(20,21)22/h3-4,13-15H,5-12H2,1-2H3
InChIKeyRKLASZGSKPZKHZ-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.87
Rot. Bonds3

About (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone

(4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone (PubChem CID 11383530) has the molecular formula C19H27F3N4O and a molecular weight of 384.45 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone
PubChem CID11383530
Molecular FormulaC19H27F3N4O
Molecular Weight384.45 g/mol
Exact Mass384.21
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone
SMILESCC(C)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H27F3N4O/c1-14(2)24-9-11-26(12-10-24)18(27)15-5-7-25(8-6-15)16-3-4-17(23-13-16)19(20,21)22/h3-4,13-15H,5-12H2,1-2H3
InChIKeyRKLASZGSKPZKHZ-UHFFFAOYSA-N
XLogP2.87
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone (CID 11383530) is (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone is CC(C)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is RKLASZGSKPZKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4O/c1-14(2)24-9-11-26(12-10-24)18(27)15-5-7-25(8-6-15)16-3-4-17(23-13-16)19(20,21)22/h3-4,13-15H,5-12H2,1-2H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone?
(4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 384.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 11383530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).