ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate

C24H27ClFN3O2 — CID 19019545

IUPACethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate
SMILESCCOC(=O)NCCC1CC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CCN1
InChIInChI=1S/C24H27ClFN3O2/c1-2-31-24(30)28-12-10-19-13-16(9-11-27-19)22-15-29(20-6-4-18(26)5-7-20)23-14-17(25)3-8-21(22)23/h3-8,14-16,19,27H,2,9-13H2,1H3,(H,28,30)
InChIKeyRZTSWXXVMCMONP-UHFFFAOYSA-N
MW443.95 g/mol
LogP5.39
Rot. Bonds6

About ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate

ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate (PubChem CID 19019545) has the molecular formula C24H27ClFN3O2 and a molecular weight of 443.95 g/mol. Its IUPAC name is ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate
PubChem CID19019545
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.95 g/mol
Exact Mass443.18
IUPAC Nameethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate
SMILESCCOC(=O)NCCC1CC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CCN1
InChIInChI=1S/C24H27ClFN3O2/c1-2-31-24(30)28-12-10-19-13-16(9-11-27-19)22-15-29(20-6-4-18(26)5-7-20)23-14-17(25)3-8-21(22)23/h3-8,14-16,19,27H,2,9-13H2,1H3,(H,28,30)
InChIKeyRZTSWXXVMCMONP-UHFFFAOYSA-N
XLogP5.39
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.95
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-3-propylurea
CID 67784696
3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-1-propylurea
CID 67785262
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
CID 14947118
3-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1-methyl-1-propan-2-ylurea
CID 67785260
N-[1-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-1,1-dimethoxyethanamine
CID 19379857
tert-butyl N-[3-[4-[1-(4-chlorophenyl)indol-3-yl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 121299328
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
2-[6-chloro-1-(4-fluorophenyl)indol-3-yl]oxy-N,N-dimethylethanamine
CID 10544602
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2-carbaldehyde
CID 174374028
5-chloro-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971959
5-chloro-2-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955212
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate (CID 19019545) is ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate is CCOC(=O)NCCC1CC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CCN1.
What is the InChIKey of ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate?
The InChIKey is RZTSWXXVMCMONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c1-2-31-24(30)28-12-10-19-13-16(9-11-27-19)22-15-29(20-6-4-18(26)5-7-20)23-14-17(25)3-8-21(22)23/h3-8,14-16,19,27H,2,9-13H2,1H3,(H,28,30).
What are the key properties of ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate?
ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate has a molecular weight of 443.95 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 19019545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).