(1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C19H25F3N4O — CID 24877230

IUPAC(1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN(C2CC2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H25F3N4O/c20-19(21,22)15-3-6-17(23-12-15)24-8-10-25(11-9-24)18(27)14-2-1-7-26(13-14)16-4-5-16/h3,6,12,14,16H,1-2,4-5,7-11,13H2
InChIKeyIKISJNJFTMYXTB-UHFFFAOYSA-N
MW382.43 g/mol
LogP2.62
Rot. Bonds3

About (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 24877230) has the molecular formula C19H25F3N4O and a molecular weight of 382.43 g/mol. Its IUPAC name is (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID24877230
Molecular FormulaC19H25F3N4O
Molecular Weight382.43 g/mol
Exact Mass382.20
IUPAC Name(1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(C1CCCN(C2CC2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H25F3N4O/c20-19(21,22)15-3-6-17(23-12-15)24-8-10-25(11-9-24)18(27)14-2-1-7-26(13-14)16-4-5-16/h3,6,12,14,16H,1-2,4-5,7-11,13H2
InChIKeyIKISJNJFTMYXTB-UHFFFAOYSA-N
XLogP2.62
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 24877230) is (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(C1CCCN(C2CC2)C1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is IKISJNJFTMYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N4O/c20-19(21,22)15-3-6-17(23-12-15)24-8-10-25(11-9-24)18(27)14-2-1-7-26(13-14)16-4-5-16/h3,6,12,14,16H,1-2,4-5,7-11,13H2.
What are the key properties of (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 382.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylpiperidin-3-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 24877230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).