N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide

C30H29ClFN3O — CID 22049113

IUPACN-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(C2CCN(Cc3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)c1)C1CC1
InChIInChI=1S/C30H29ClFN3O/c31-24-6-11-28-23(19-35(29(28)17-24)27-9-7-25(32)8-10-27)18-34-14-12-20(13-15-34)22-2-1-3-26(16-22)33-30(36)21-4-5-21/h1-3,6-11,16-17,19-21H,4-5,12-15,18H2,(H,33,36)
InChIKeyMNERINIUDNHDMM-UHFFFAOYSA-N
MW502.03 g/mol
LogP7.15
Rot. Bonds6

About N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide

N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 22049113) has the molecular formula C30H29ClFN3O and a molecular weight of 502.03 g/mol. Its IUPAC name is N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID22049113
Molecular FormulaC30H29ClFN3O
Molecular Weight502.03 g/mol
Exact Mass501.20
IUPAC NameN-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(C2CCN(Cc3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)c1)C1CC1
InChIInChI=1S/C30H29ClFN3O/c31-24-6-11-28-23(19-35(29(28)17-24)27-9-7-25(32)8-10-27)18-34-14-12-20(13-15-34)22-2-1-3-26(16-22)33-30(36)21-4-5-21/h1-3,6-11,16-17,19-21H,4-5,12-15,18H2,(H,33,36)
InChIKeyMNERINIUDNHDMM-UHFFFAOYSA-N
XLogP7.15
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.03
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide 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 N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide (CID 22049113) is N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(C2CCN(Cc3cn(-c4ccc(F)cc4)c4cc(Cl)ccc34)CC2)c1)C1CC1.
What is the InChIKey of N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is MNERINIUDNHDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClFN3O/c31-24-6-11-28-23(19-35(29(28)17-24)27-9-7-25(32)8-10-27)18-34-14-12-20(13-15-34)22-2-1-3-26(16-22)33-30(36)21-4-5-21/h1-3,6-11,16-17,19-21H,4-5,12-15,18H2,(H,33,36).
What are the key properties of N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide?
N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 502.03 g/mol, XLogP of 7.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[[6-chloro-1-(4-fluorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 22049113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).