9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate

C32H32F2N6O2 — CID 67380304

IUPAC9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate
SMILESCCN1CCC(n2c(CCNC(=O)OCC3c4ccccc4-c4ccccc43)nc3cnc4[nH]ccc4c32)C(F)(F)C1
InChIInChI=1S/C32H32F2N6O2/c1-2-39-16-13-27(32(33,34)19-39)40-28(38-26-17-37-30-24(29(26)40)11-14-35-30)12-15-36-31(41)42-18-25-22-9-5-3-7-20(22)21-8-4-6-10-23(21)25/h3-11,14,17,25,27H,2,12-13,15-16,18-19H2,1H3,(H,35,37)(H,36,41)
InChIKeyACSCKJQTPYAFAE-UHFFFAOYSA-N
MW570.64 g/mol
LogP5.90
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate (PubChem CID 67380304) has the molecular formula C32H32F2N6O2 and a molecular weight of 570.64 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate
PubChem CID67380304
Molecular FormulaC32H32F2N6O2
Molecular Weight570.64 g/mol
Exact Mass570.26
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate
SMILESCCN1CCC(n2c(CCNC(=O)OCC3c4ccccc4-c4ccccc43)nc3cnc4[nH]ccc4c32)C(F)(F)C1
InChIInChI=1S/C32H32F2N6O2/c1-2-39-16-13-27(32(33,34)19-39)40-28(38-26-17-37-30-24(29(26)40)11-14-35-30)12-15-36-31(41)42-18-25-22-9-5-3-7-20(22)21-8-4-6-10-23(21)25/h3-11,14,17,25,27H,2,12-13,15-16,18-19H2,1H3,(H,35,37)(H,36,41)
InChIKeyACSCKJQTPYAFAE-UHFFFAOYSA-N
XLogP5.90
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.64
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-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

Related Compounds

CID 155513757
CID 155513757
CID 70983629
CID 70983629
CID 71264006
CID 71264006
CID 138686666
CID 138686666
CID 142379872
CID 142379872
CID 121379948
CID 121379948
CID 122686606
CID 122686606
CID 138686527
CID 138686527
CID 138686576
CID 138686576
CID 176248217
CID 176248217
CID 25264664
CID 25264664
CID 58395195
CID 58395195

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate (CID 67380304) is 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate is CCN1CCC(n2c(CCNC(=O)OCC3c4ccccc4-c4ccccc43)nc3cnc4[nH]ccc4c32)C(F)(F)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate?
The InChIKey is ACSCKJQTPYAFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F2N6O2/c1-2-39-16-13-27(32(33,34)19-39)40-28(38-26-17-37-30-24(29(26)40)11-14-35-30)12-15-36-31(41)42-18-25-22-9-5-3-7-20(22)21-8-4-6-10-23(21)25/h3-11,14,17,25,27H,2,12-13,15-16,18-19H2,1H3,(H,35,37)(H,36,41).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate has a molecular weight of 570.64 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[3-(1-ethyl-3,3-difluoropiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]ethyl]carbamate is sourced from PubChem (CID 67380304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).