UKKURIKSIWTDMF-UHFFFAOYSA-N

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

C₃₂H₄₀FN₃O₄ — CID 118898146

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

IUPACethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate

SMILESCCOC(=O)C1(C)CCN(C2=NOC3(C2)CN(Cc2cc(OCC)c(-c4ccc(F)cc4)cc2C2CC2)C3)CC1

InChIInChI=1S/C32H40FN3O4/c1-4-38-28-16-24(26(22-6-7-22)17-27(28)23-8-10-25(33)11-9-23)19-35-20-32(21-35)18-29(34-40-32)36-14-12-31(3,13-15-36)30(37)39-5-2/h8-11,16-17,22H,4-7,12-15,18-21H2,1-3H3

InChIKeyUKKURIKSIWTDMF-UHFFFAOYSA-N

MW549.69 g/mol

LogP5.72

Rot. Bonds8

About UKKURIKSIWTDMF-UHFFFAOYSA-N

UKKURIKSIWTDMF-UHFFFAOYSA-N (PubChem CID 118898146) has the molecular formula C₃₂H₄₀FN₃O₄ and a molecular weight of 549.69 g/mol. Its IUPAC name is ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Name	UKKURIKSIWTDMF-UHFFFAOYSA-N
PubChem CID	118898146
Molecular Formula	C₃₂H₄₀FN₃O₄
Molecular Weight	549.69 g/mol
Exact Mass	549.30
IUPAC Name	ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate
SMILES	CCOC(=O)C1(C)CCN(C2=NOC3(C2)CN(Cc2cc(OCC)c(-c4ccc(F)cc4)cc2C2CC2)C3)CC1
InChI	InChI=1S/C32H40FN3O4/c1-4-38-28-16-24(26(22-6-7-22)17-27(28)23-8-10-25(33)11-9-23)19-35-20-32(21-35)18-29(34-40-32)36-14-12-31(3,13-15-36)30(37)39-5-2/h8-11,16-17,22H,4-7,12-15,18-21H2,1-3H3
InChIKey	UKKURIKSIWTDMF-UHFFFAOYSA-N
XLogP	5.72
TPSA	63.60 Å²
H-Bond Donors
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.69
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of UKKURIKSIWTDMF-UHFFFAOYSA-N (CID 118898146) is ethyl 1-[2-[[2-cyclopropyl-5-ethoxy-4-(4-fluorophenyl)phenyl]methyl]-5-oxa-2,6-diazaspiro[3.4]oct-6-en-7-yl]-4-methylpiperidine-4-carboxylate.

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

The canonical SMILES for UKKURIKSIWTDMF-UHFFFAOYSA-N is CCOC(=O)C1(C)CCN(C2=NOC3(C2)CN(Cc2cc(OCC)c(-c4ccc(F)cc4)cc2C2CC2)C3)CC1.

What is the InChIKey of UKKURIKSIWTDMF-UHFFFAOYSA-N?

The InChIKey is UKKURIKSIWTDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40FN3O4/c1-4-38-28-16-24(26(22-6-7-22)17-27(28)23-8-10-25(33)11-9-23)19-35-20-32(21-35)18-29(34-40-32)36-14-12-31(3,13-15-36)30(37)39-5-2/h8-11,16-17,22H,4-7,12-15,18-21H2,1-3H3.

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

UKKURIKSIWTDMF-UHFFFAOYSA-N has a molecular weight of 549.69 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for UKKURIKSIWTDMF-UHFFFAOYSA-N is sourced from PubChem (CID 118898146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 118898146 — identifiers, structure, computed properties (public domain)

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