YMPFIUNQJGZTPI-UHFFFAOYSA-N

Name: YMPFIUNQJGZTPI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₃H₁₉ClF₂N₄O₂ — CID 121317983

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide

SMILESO=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cncnc3)c2)CC(F)(F)C1

InChIInChI=1S/C23H19ClF2N4O2/c24-19-4-6-20(7-5-19)29-21(31)17-9-23(25,26)13-30(12-17)22(32)16-3-1-2-15(8-16)18-10-27-14-28-11-18/h1-8,10-11,14,17H,9,12-13H2,(H,29,31)

InChIKeyYMPFIUNQJGZTPI-UHFFFAOYSA-N

MW456.88 g/mol

LogP4.53

Rot. Bonds4

About YMPFIUNQJGZTPI-UHFFFAOYSA-N

YMPFIUNQJGZTPI-UHFFFAOYSA-N (PubChem CID 121317983) has the molecular formula C₂₃H₁₉ClF₂N₄O₂ and a molecular weight of 456.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name	YMPFIUNQJGZTPI-UHFFFAOYSA-N
PubChem CID	121317983
Molecular Formula	C₂₃H₁₉ClF₂N₄O₂
Molecular Weight	456.88 g/mol
Exact Mass	456.12
IUPAC Name	N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide
SMILES	O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cncnc3)c2)CC(F)(F)C1
InChI	InChI=1S/C23H19ClF2N4O2/c24-19-4-6-20(7-5-19)29-21(31)17-9-23(25,26)13-30(12-17)22(32)16-3-1-2-15(8-16)18-10-27-14-28-11-18/h1-8,10-11,14,17H,9,12-13H2,(H,29,31)
InChIKey	YMPFIUNQJGZTPI-UHFFFAOYSA-N
XLogP	4.53
TPSA	75.19 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.88
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of YMPFIUNQJGZTPI-UHFFFAOYSA-N?

The IUPAC name of YMPFIUNQJGZTPI-UHFFFAOYSA-N (CID 121317983) is N-(4-chlorophenyl)-5,5-difluoro-1-(3-pyrimidin-5-ylbenzoyl)piperidine-3-carboxamide.

What is the SMILES notation for YMPFIUNQJGZTPI-UHFFFAOYSA-N?

The canonical SMILES for YMPFIUNQJGZTPI-UHFFFAOYSA-N is O=C(Nc1ccc(Cl)cc1)C1CN(C(=O)c2cccc(-c3cncnc3)c2)CC(F)(F)C1.

What is the InChIKey of YMPFIUNQJGZTPI-UHFFFAOYSA-N?

The InChIKey is YMPFIUNQJGZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF2N4O2/c24-19-4-6-20(7-5-19)29-21(31)17-9-23(25,26)13-30(12-17)22(32)16-3-1-2-15(8-16)18-10-27-14-28-11-18/h1-8,10-11,14,17H,9,12-13H2,(H,29,31).

What are the key properties of YMPFIUNQJGZTPI-UHFFFAOYSA-N?

YMPFIUNQJGZTPI-UHFFFAOYSA-N has a molecular weight of 456.88 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for YMPFIUNQJGZTPI-UHFFFAOYSA-N is sourced from PubChem (CID 121317983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 121317983 — identifiers, structure, computed properties (public domain)

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