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

C22H31N3O4 — CID 66774842

IUPACtert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ccc(=O)n(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1
InChIInChI=1S/C22H31N3O4/c1-22(2,3)25(21(27)28)17-9-11-23(12-10-17)13-14-24-19-15-18(29-4)7-5-16(19)6-8-20(24)26/h5-8,15,17H,9-14H2,1-4H3,(H,27,28)
InChIKeyZCZUWLPYOMMHEP-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.25
Rot. Bonds5

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

tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 66774842) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
PubChem CID66774842
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Nametert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ccc(=O)n(CCN3CCC(N(C(=O)O)C(C)(C)C)CC3)c2c1
InChIInChI=1S/C22H31N3O4/c1-22(2,3)25(21(27)28)17-9-11-23(12-10-17)13-14-24-19-15-18(29-4)7-5-16(19)6-8-20(24)26/h5-8,15,17H,9-14H2,1-4H3,(H,27,28)
InChIKeyZCZUWLPYOMMHEP-UHFFFAOYSA-N
XLogP3.25
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)propyl]piperidin-4-yl]carbamic acid
CID 66774488
tert-butyl-[1-[2-(7-methoxy-3-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66775309
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
tert-butyl-[1-[2-(7-chloro-2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 86652542
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-[(3S,4R)-3-hydroxy-1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 67996141
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
CID 68631645
7-fluoro-N-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-methyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carboxamide
CID 25160349
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
2,3-dihydro-1,4-benzodioxin-6-ylmethyl N-tert-butyl-N-[1-[2-[5-(hydroxymethyl)-7-methoxy-2-oxoquinolin-1-yl]ethyl]piperidin-4-yl]carbamate
CID 123692600
tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate
CID 67130938

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 66774842) is tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid is COc1ccc2ccc(=O)n(CCN3CCC(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)ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is ZCZUWLPYOMMHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-22(2,3)25(21(27)28)17-9-11-23(12-10-17)13-14-24-19-15-18(29-4)7-5-16(19)6-8-20(24)26/h5-8,15,17H,9-14H2,1-4H3,(H,27,28).
What are the key properties of tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 401.51 g/mol, XLogP of 3.25, 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)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 66774842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).