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

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Related Compounds

N-[3-[1-[[6-chloro-1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048772
methyl 3-[[4-[3-(2-methylpropanoylamino)phenyl]piperidin-1-yl]methyl]-1-phenylindole-6-carboxylate
CID 22048778
N-[3-[1-[[1-(2-chlorophenyl)indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049142
2-methyl-N-[3-[1-[(1-phenyl-6-phenylmethoxyindol-3-yl)methyl]piperidin-4-yl]phenyl]propanamide
CID 22048594
1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049315
N-[3-[1-[[6-chloro-1-[(3Z,5Z)-3,4-dichlorohepta-1,3,5-trien-2-yl]indol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 142203571
N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
CID 22048702
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 139829310
N-(3-carbamoylphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284665

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).