[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate

C25H30FN3O2 — CID 6733723

IUPAC[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1ccc2[nH]cc(CCNC(=O)OCC3CCCCN3Cc3ccccc3F)c2c1
InChIInChI=1S/C25H30FN3O2/c1-18-9-10-24-22(14-18)19(15-28-24)11-12-27-25(30)31-17-21-7-4-5-13-29(21)16-20-6-2-3-8-23(20)26/h2-3,6,8-10,14-15,21,28H,4-5,7,11-13,16-17H2,1H3,(H,27,30)
InChIKeyUXIODYDHOSFUBA-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.94
Rot. Bonds7

About [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate

[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate (PubChem CID 6733723) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate
PubChem CID6733723
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate
SMILESCc1ccc2[nH]cc(CCNC(=O)OCC3CCCCN3Cc3ccccc3F)c2c1
InChIInChI=1S/C25H30FN3O2/c1-18-9-10-24-22(14-18)19(15-28-24)11-12-27-25(30)31-17-21-7-4-5-13-29(21)16-20-6-2-3-8-23(20)26/h2-3,6,8-10,14-15,21,28H,4-5,7,11-13,16-17H2,1H3,(H,27,30)
InChIKeyUXIODYDHOSFUBA-UHFFFAOYSA-N
XLogP4.94
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate (CID 6733723) is [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate is Cc1ccc2[nH]cc(CCNC(=O)OCC3CCCCN3Cc3ccccc3F)c2c1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is UXIODYDHOSFUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18-9-10-24-22(14-18)19(15-28-24)11-12-27-25(30)31-17-21-7-4-5-13-29(21)16-20-6-2-3-8-23(20)26/h2-3,6,8-10,14-15,21,28H,4-5,7,11-13,16-17H2,1H3,(H,27,30).
What are the key properties of [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate?
[1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 423.53 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]piperidin-2-yl]methyl N-[2-(5-methyl-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 6733723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).