(3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone

C17H23F3N4O — CID 175912202

IUPAC(3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESCCCC1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C17H23F3N4O/c1-2-3-12-10-24(11-12)15(25)13-4-6-23(7-5-13)16-21-8-14(9-22-16)17(18,19)20/h8-9,12-13H,2-7,10-11H2,1H3
InChIKeyKKSMHGCGWWIPST-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.97
Rot. Bonds4

About (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone

(3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone (PubChem CID 175912202) has the molecular formula C17H23F3N4O and a molecular weight of 356.39 g/mol. Its IUPAC name is (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
PubChem CID175912202
Molecular FormulaC17H23F3N4O
Molecular Weight356.39 g/mol
Exact Mass356.18
IUPAC Name(3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone
SMILESCCCC1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1
InChIInChI=1S/C17H23F3N4O/c1-2-3-12-10-24(11-12)15(25)13-4-6-23(7-5-13)16-21-8-14(9-22-16)17(18,19)20/h8-9,12-13H,2-7,10-11H2,1H3
InChIKeyKKSMHGCGWWIPST-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The IUPAC name of (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone (CID 175912202) is (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The canonical SMILES for (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone is CCCC1CN(C(=O)C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1.
What is the InChIKey of (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
The InChIKey is KKSMHGCGWWIPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O/c1-2-3-12-10-24(11-12)15(25)13-4-6-23(7-5-13)16-21-8-14(9-22-16)17(18,19)20/h8-9,12-13H,2-7,10-11H2,1H3.
What are the key properties of (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone?
(3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone has a molecular weight of 356.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylazetidin-1-yl)-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 175912202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).