1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide

C27H32FN3O — CID 22038244

IUPAC1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CCCC1
InChIInChI=1S/C27H32FN3O/c28-23-7-3-20(4-8-23)9-15-30-16-11-24(12-17-30)31-18-10-21-5-6-22(19-25(21)31)27(26(29)32)13-1-2-14-27/h3-8,10,18-19,24H,1-2,9,11-17H2,(H2,29,32)
InChIKeyKTADDAQRFPEYPO-UHFFFAOYSA-N
MW433.57 g/mol
LogP4.96
Rot. Bonds6

About 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide

1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide (PubChem CID 22038244) has the molecular formula C27H32FN3O and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide
PubChem CID22038244
Molecular FormulaC27H32FN3O
Molecular Weight433.57 g/mol
Exact Mass433.25
IUPAC Name1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide
SMILESNC(=O)C1(c2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CCCC1
InChIInChI=1S/C27H32FN3O/c28-23-7-3-20(4-8-23)9-15-30-16-11-24(12-17-30)31-18-10-21-5-6-22(19-25(21)31)27(26(29)32)13-1-2-14-27/h3-8,10,18-19,24H,1-2,9,11-17H2,(H2,29,32)
InChIKeyKTADDAQRFPEYPO-UHFFFAOYSA-N
XLogP4.96
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide 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 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide (CID 22038244) is 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide is NC(=O)C1(c2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CCCC1.
What is the InChIKey of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide?
The InChIKey is KTADDAQRFPEYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN3O/c28-23-7-3-20(4-8-23)9-15-30-16-11-24(12-17-30)31-18-10-21-5-6-22(19-25(21)31)27(26(29)32)13-1-2-14-27/h3-8,10,18-19,24H,1-2,9,11-17H2,(H2,29,32).
What are the key properties of 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide?
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 22038244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).