tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide

C55H63ClF2N8O6 — CID 161471690

IUPACtert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(Cl)nc3c2)c1.CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCCC4)nc3c2)c1.CC(C)(C)OC(=O)N1CCCCC1
InChIInChI=1S/C25H27FN4O2.C20H17ClFN3O2.C10H19NO2/c1-25(2,3)24(32)28-17-8-9-19(26)18(14-17)23(31)16-7-10-20-21(13-16)29-22(15-27-20)30-11-5-4-6-12-30;1-20(2,3)19(27)24-12-5-6-14(22)13(9-12)18(26)11-4-7-15-16(8-11)25-17(21)10-23-15;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,28,32);4-10H,1-3H3,(H,24,27);4-8H2,1-3H3
InChIKeyWDEBWZSQGHPVJD-UHFFFAOYSA-N
MW1005.61 g/mol
LogP12.02
Rot. Bonds7

About tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide

tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide (PubChem CID 161471690) has the molecular formula C55H63ClF2N8O6 and a molecular weight of 1005.61 g/mol. Its IUPAC name is tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Nametert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide
PubChem CID161471690
Molecular FormulaC55H63ClF2N8O6
Molecular Weight1005.61 g/mol
Exact Mass1004.45
IUPAC Nametert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(Cl)nc3c2)c1.CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCCC4)nc3c2)c1.CC(C)(C)OC(=O)N1CCCCC1
InChIInChI=1S/C25H27FN4O2.C20H17ClFN3O2.C10H19NO2/c1-25(2,3)24(32)28-17-8-9-19(26)18(14-17)23(31)16-7-10-20-21(13-16)29-22(15-27-20)30-11-5-4-6-12-30;1-20(2,3)19(27)24-12-5-6-14(22)13(9-12)18(26)11-4-7-15-16(8-11)25-17(21)10-23-15;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,28,32);4-10H,1-3H3,(H,24,27);4-8H2,1-3H3
InChIKeyWDEBWZSQGHPVJD-UHFFFAOYSA-N
XLogP12.02
TPSA176.68 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.61
LogP ≤ 512.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

3,4-difluoro-N-[4-fluoro-3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443919
(5-amino-2-fluorophenyl)-(3-piperazin-1-ylquinoxalin-6-yl)methanone;(5-amino-2-fluorophenyl)-(3-piperidin-1-ylquinoxalin-6-yl)methanone;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methane
CID 159281143
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443057
4-fluoro-N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 89443751
N-[4-fluoro-3-(3-piperazin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 172754016
tert-butyl 4-[7-[2-fluoro-4-(methylamino)benzoyl]quinoxalin-2-yl]piperazine-1-carboxylate;3-fluorobenzaldehyde
CID 144625947
(2-fluoro-5-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478345
3-chloro-N-[3,4-difluoro-5-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-4-fluorobenzamide
CID 89445214
1-[4-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 89443327
N-[3-(3-pyrrolidin-1-ylquinoxaline-6-carbonyl)phenyl]benzamide
CID 174911369
tert-butyl 9-(7-bromoquinoxalin-2-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 175739710
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141

Frequently Asked Questions

What is the IUPAC name of tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide (CID 161471690) is tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(Cl)nc3c2)c1.CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)c2ccc3ncc(N4CCCCC4)nc3c2)c1.CC(C)(C)OC(=O)N1CCCCC1.
What is the InChIKey of tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is WDEBWZSQGHPVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2.C20H17ClFN3O2.C10H19NO2/c1-25(2,3)24(32)28-17-8-9-19(26)18(14-17)23(31)16-7-10-20-21(13-16)29-22(15-27-20)30-11-5-4-6-12-30;1-20(2,3)19(27)24-12-5-6-14(22)13(9-12)18(26)11-4-7-15-16(8-11)25-17(21)10-23-15;1-10(2,3)13-9(12)11-7-5-4-6-8-11/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,28,32);4-10H,1-3H3,(H,24,27);4-8H2,1-3H3.
What are the key properties of tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide?
tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 1005.61 g/mol, XLogP of 12.02, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl piperidine-1-carboxylate;N-[3-(3-chloroquinoxaline-6-carbonyl)-4-fluorophenyl]-2,2-dimethylpropanamide;N-[4-fluoro-3-(3-piperidin-1-ylquinoxaline-6-carbonyl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 161471690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).