tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid

C23H33N3O4 — CID 66774488

IUPACtert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ccc(=O)n(C(C)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1
InChIInChI=1S/C23H33N3O4/c1-16(25-20-14-19(30-5)8-6-17(20)7-9-21(25)27)15-24-12-10-18(11-13-24)26(22(28)29)23(2,3)4/h6-9,14,16,18H,10-13,15H2,1-5H3,(H,28,29)
InChIKeyVEJGNKMPYICKPY-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.81
Rot. Bonds5

About tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid

tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid (PubChem CID 66774488) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid
PubChem CID66774488
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ccc(=O)n(C(C)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1
InChIInChI=1S/C23H33N3O4/c1-16(25-20-14-19(30-5)8-6-17(20)7-9-21(25)27)15-24-12-10-18(11-13-24)26(22(28)29)23(2,3)4/h6-9,14,16,18H,10-13,15H2,1-5H3,(H,28,29)
InChIKeyVEJGNKMPYICKPY-UHFFFAOYSA-N
XLogP3.81
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66775309
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
tert-butyl-[1-[2-(7-chloro-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 86652542
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
tert-butyl-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]carbamic acid
CID 87400889
tert-butyl-[1-[3-(5-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]carbamic acid
CID 67854468
tert-butyl-[1-[2-(6-fluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66773432
tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate
CID 67130938
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
CID 68631645
benzyl N-[4-[2-amino-2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]cyclohexyl]carbamate
CID 67025753

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid (CID 66774488) is tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid is COc1ccc2ccc(=O)n(C(C)CN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid?
The InChIKey is VEJGNKMPYICKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-16(25-20-14-19(30-5)8-6-17(20)7-9-21(25)27)15-24-12-10-18(11-13-24)26(22(28)29)23(2,3)4/h6-9,14,16,18H,10-13,15H2,1-5H3,(H,28,29).
What are the key properties of tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid?
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid has a molecular weight of 415.53 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66774488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).