tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate

C22H32N4O5 — CID 86642274

IUPACtert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C3)c2c1
InChIInChI=1S/C22H32N4O5/c1-22(2,3)31-21(28)24-17-8-9-25(14-19(17)30-5)10-11-26-18-12-15(29-4)6-7-16(18)23-13-20(26)27/h6-7,12-13,17,19H,8-11,14H2,1-5H3,(H,24,28)/t17-,19+/m0/s1
InChIKeyQGMLFVAKAMTBOJ-PKOBYXMFSA-N
MW432.52 g/mol
LogP2.02
Rot. Bonds6

About tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate

tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 86642274) has the molecular formula C22H32N4O5 and a molecular weight of 432.52 g/mol. Its IUPAC name is tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
PubChem CID86642274
Molecular FormulaC22H32N4O5
Molecular Weight432.52 g/mol
Exact Mass432.24
IUPAC Nametert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate
SMILESCOc1ccc2ncc(=O)n(CCN3CC[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C3)c2c1
InChIInChI=1S/C22H32N4O5/c1-22(2,3)31-21(28)24-17-8-9-25(14-19(17)30-5)10-11-26-18-12-15(29-4)6-7-16(18)23-13-20(26)27/h6-7,12-13,17,19H,8-11,14H2,1-5H3,(H,24,28)/t17-,19+/m0/s1
InChIKeyQGMLFVAKAMTBOJ-PKOBYXMFSA-N
XLogP2.02
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]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

tert-butyl N-[(3S,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 68993144
1-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 172706824
[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
CID 123961295
1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one
CID 59398367
1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
CID 67498576
tert-butyl-[(3S,4R)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 67996141
tert-butyl N-[1-[2-(7-cyano-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 130201475
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
6-[[[(3R,4S)-3-hydroxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;dihydrochloride
CID 25008766
1-[2-(3-fluoro-4-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;1-[2-(3-fluoro-4-oxopiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;2-(7-methoxy-2-oxoquinoxalin-1-yl)acetaldehyde
CID 158722312
7-methoxy-1-[2-[4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-methylamino]piperidin-1-yl]ethyl]quinoxalin-2-one;hydrochloride
CID 67539280
[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid
CID 68610941

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate (CID 86642274) is tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is COc1ccc2ncc(=O)n(CCN3CC[C@H](NC(=O)OC(C)(C)C)[C@H](OC)C3)c2c1.
What is the InChIKey of tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
The InChIKey is QGMLFVAKAMTBOJ-PKOBYXMFSA-N. The full InChI is InChI=1S/C22H32N4O5/c1-22(2,3)31-21(28)24-17-8-9-25(14-19(17)30-5)10-11-26-18-12-15(29-4)6-7-16(18)23-13-20(26)27/h6-7,12-13,17,19H,8-11,14H2,1-5H3,(H,24,28)/t17-,19+/m0/s1.
What are the key properties of tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate?
tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4S)-3-methoxy-1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 86642274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).