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ZTCLNWJUIQMFQT-UHFFFAOYSA-N

C20H27F2N3O — CID 121359718

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone
SMILESCN1Cc2ccccc2C12CCN(CC(=O)N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C20H27F2N3O/c1-23-14-16-4-2-3-5-17(16)19(23)6-10-24(11-7-19)15-18(26)25-12-8-20(21,22)9-13-25/h2-5H,6-15H2,1H3
InChIKeyZTCLNWJUIQMFQT-UHFFFAOYSA-N
MW363.45 g/mol
LogP2.68
Rot. Bonds2

About ZTCLNWJUIQMFQT-UHFFFAOYSA-N

ZTCLNWJUIQMFQT-UHFFFAOYSA-N (PubChem CID 121359718) has the molecular formula C20H27F2N3O and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound NameZTCLNWJUIQMFQT-UHFFFAOYSA-N
PubChem CID121359718
Molecular FormulaC20H27F2N3O
Molecular Weight363.45 g/mol
Exact Mass363.21
IUPAC Name1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone
SMILESCN1Cc2ccccc2C12CCN(CC(=O)N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C20H27F2N3O/c1-23-14-16-4-2-3-5-17(16)19(23)6-10-24(11-7-19)15-18(26)25-12-8-20(21,22)9-13-25/h2-5H,6-15H2,1H3
InChIKeyZTCLNWJUIQMFQT-UHFFFAOYSA-N
XLogP2.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ZTCLNWJUIQMFQT-UHFFFAOYSA-N?
The IUPAC name of ZTCLNWJUIQMFQT-UHFFFAOYSA-N (CID 121359718) is 1-(4,4-difluoropiperidin-1-yl)-2-(2-methylspiro[1H-isoindole-3,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for ZTCLNWJUIQMFQT-UHFFFAOYSA-N?
The canonical SMILES for ZTCLNWJUIQMFQT-UHFFFAOYSA-N is CN1Cc2ccccc2C12CCN(CC(=O)N1CCC(F)(F)CC1)CC2.
What is the InChIKey of ZTCLNWJUIQMFQT-UHFFFAOYSA-N?
The InChIKey is ZTCLNWJUIQMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O/c1-23-14-16-4-2-3-5-17(16)19(23)6-10-24(11-7-19)15-18(26)25-12-8-20(21,22)9-13-25/h2-5H,6-15H2,1H3.
What are the key properties of ZTCLNWJUIQMFQT-UHFFFAOYSA-N?
ZTCLNWJUIQMFQT-UHFFFAOYSA-N has a molecular weight of 363.45 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ZTCLNWJUIQMFQT-UHFFFAOYSA-N is sourced from PubChem (CID 121359718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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