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

C24H27ClFN3O2 — CID 14947117

IUPACethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H27ClFN3O2/c1-2-31-24(30)27-11-14-28-12-9-17(10-13-28)22-16-29(20-6-4-19(26)5-7-20)23-15-18(25)3-8-21(22)23/h3-8,15-17H,2,9-14H2,1H3,(H,27,30)
InChIKeyXGBNTCGOEUTVQN-UHFFFAOYSA-N
MW443.95 g/mol
LogP5.35
Rot. Bonds6

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

ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate (PubChem CID 14947117) 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-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate
PubChem CID14947117
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.95 g/mol
Exact Mass443.18
IUPAC Nameethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate
SMILESCCOC(=O)NCCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H27ClFN3O2/c1-2-31-24(30)27-11-14-28-12-9-17(10-13-28)22-16-29(20-6-4-19(26)5-7-20)23-15-18(25)3-8-21(22)23/h3-8,15-17H,2,9-14H2,1H3,(H,27,30)
InChIKeyXGBNTCGOEUTVQN-UHFFFAOYSA-N
XLogP5.35
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.95
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate 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 ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate (CID 14947117) is ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate is CCOC(=O)NCCN1CCC(c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)CC1.
What is the InChIKey of ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate?
The InChIKey is XGBNTCGOEUTVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c1-2-31-24(30)27-11-14-28-12-9-17(10-13-28)22-16-29(20-6-4-19(26)5-7-20)23-15-18(25)3-8-21(22)23/h3-8,15-17H,2,9-14H2,1H3,(H,27,30).
What are the key properties of ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate?
ethyl N-[2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]carbamate has a molecular weight of 443.95 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 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-1-yl]ethyl]carbamate is sourced from PubChem (CID 14947117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).