tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid

C22H32N4O4 — CID 66775309

IUPACtert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2nc(C)c(=O)n(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1
InChIInChI=1S/C22H32N4O4/c1-15-20(27)25(19-14-17(30-5)6-7-18(19)23-15)13-12-24-10-8-16(9-11-24)26(21(28)29)22(2,3)4/h6-7,14,16H,8-13H2,1-5H3,(H,28,29)
InChIKeyITMRLEZKTCXEMJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.96
Rot. Bonds5

About tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid

tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 66775309) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID66775309
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Nametert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2nc(C)c(=O)n(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1
InChIInChI=1S/C22H32N4O4/c1-15-20(27)25(19-14-17(30-5)6-7-18(19)23-15)13-12-24-10-8-16(9-11-24)26(21(28)29)22(2,3)4/h6-7,14,16H,8-13H2,1-5H3,(H,28,29)
InChIKeyITMRLEZKTCXEMJ-UHFFFAOYSA-N
XLogP2.96
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
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-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid
CID 66774488
tert-butyl-[1-[2-(6-methoxy-3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66775007
tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66773432
tert-butyl-[1-[2-(7-chloro-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 86652542
[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
CID 123961295
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
1-[2-(4-amino-3-hydroxypiperidin-1-yl)ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 172706824
tert-butyl-[1-[(2S)-2-hydroxy-4-(3-methoxy-6-oxopyrido[2,3-b]pyrazin-5-yl)butyl]piperidin-4-yl]carbamic acid
CID 66839927
N-tert-butyl-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]carbamate
CID 86740910
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 84810462

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 66775309) is tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is COc1ccc2nc(C)c(=O)n(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is ITMRLEZKTCXEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-15-20(27)25(19-14-17(30-5)6-7-18(19)23-15)13-12-24-10-8-16(9-11-24)26(21(28)29)22(2,3)4/h6-7,14,16H,8-13H2,1-5H3,(H,28,29).
What are the key properties of tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 416.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66775309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).