tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate

C36H39FN2O4 — CID 11192515

IUPACtert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate
SMILESCOc1ccc2c3c(ccc2c1)-c1ccc(F)cc1OC3c1ccc(N(CCN2CCCCC2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C36H39FN2O4/c1-36(2,3)43-35(40)39(21-20-38-18-6-5-7-19-38)27-12-8-24(9-13-27)34-33-29-17-14-28(41-4)22-25(29)10-15-31(33)30-16-11-26(37)23-32(30)42-34/h8-17,22-23,34H,5-7,18-21H2,1-4H3
InChIKeyQYONMBWGJARTPQ-UHFFFAOYSA-N
MW582.72 g/mol
LogP8.36
Rot. Bonds6

About tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate

tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate (PubChem CID 11192515) has the molecular formula C36H39FN2O4 and a molecular weight of 582.72 g/mol. Its IUPAC name is tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate
PubChem CID11192515
Molecular FormulaC36H39FN2O4
Molecular Weight582.72 g/mol
Exact Mass582.29
IUPAC Nametert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate
SMILESCOc1ccc2c3c(ccc2c1)-c1ccc(F)cc1OC3c1ccc(N(CCN2CCCCC2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C36H39FN2O4/c1-36(2,3)43-35(40)39(21-20-38-18-6-5-7-19-38)27-12-8-24(9-13-27)34-33-29-17-14-28(41-4)22-25(29)10-15-31(33)30-16-11-26(37)23-32(30)42-34/h8-17,22-23,34H,5-7,18-21H2,1-4H3
InChIKeyQYONMBWGJARTPQ-UHFFFAOYSA-N
XLogP8.36
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.72
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)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 tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate?
The IUPAC name of tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate (CID 11192515) is tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate is COc1ccc2c3c(ccc2c1)-c1ccc(F)cc1OC3c1ccc(N(CCN2CCCCC2)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate?
The InChIKey is QYONMBWGJARTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39FN2O4/c1-36(2,3)43-35(40)39(21-20-38-18-6-5-7-19-38)27-12-8-24(9-13-27)34-33-29-17-14-28(41-4)22-25(29)10-15-31(33)30-16-11-26(37)23-32(30)42-34/h8-17,22-23,34H,5-7,18-21H2,1-4H3.
What are the key properties of tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate?
tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate has a molecular weight of 582.72 g/mol, XLogP of 8.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(8-fluoro-2-methoxy-5H-naphtho[1,2-c]chromen-5-yl)phenyl]-N-(2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 11192515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).