1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile

C25H26FN5O — CID 11059092

IUPAC1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C25H26FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-6,15,17,19H,7-14H2,(H,28,32)
InChIKeyRHASQCTWMNDBBX-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.85
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile

1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile (PubChem CID 11059092) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile
PubChem CID11059092
Molecular FormulaC25H26FN5O
Molecular Weight431.52 g/mol
Exact Mass431.21
IUPAC Name1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile
SMILESN#Cc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1
InChIInChI=1S/C25H26FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-6,15,17,19H,7-14H2,(H,28,32)
InChIKeyRHASQCTWMNDBBX-UHFFFAOYSA-N
XLogP3.85
TPSA64.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile (CID 11059092) is 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile is N#Cc1ccc2c(c1)c(C1CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile?
The InChIKey is RHASQCTWMNDBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c26-20-2-4-21(5-3-20)31-17-23(22-15-18(16-27)1-6-24(22)31)19-7-10-29(11-8-19)13-14-30-12-9-28-25(30)32/h1-6,15,17,19H,7-14H2,(H,28,32).
What are the key properties of 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile?
1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile has a molecular weight of 431.52 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidin-4-yl]indole-5-carbonitrile is sourced from PubChem (CID 11059092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).