tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate

C27H33N3O4 — CID 19030846

IUPACtert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C27H33N3O4/c1-27(2,3)34-26(33)28-21-11-8-19(9-12-21)18-25(32)29-16-14-22(15-17-29)30-23-7-5-4-6-20(23)10-13-24(30)31/h4-9,11-12,22H,10,13-18H2,1-3H3,(H,28,33)
InChIKeyYJGOJXHQLDDUKB-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate

tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate (PubChem CID 19030846) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate
PubChem CID19030846
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Nametert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C27H33N3O4/c1-27(2,3)34-26(33)28-21-11-8-19(9-12-21)18-25(32)29-16-14-22(15-17-29)30-23-7-5-4-6-20(23)10-13-24(30)31/h4-9,11-12,22H,10,13-18H2,1-3H3,(H,28,33)
InChIKeyYJGOJXHQLDDUKB-UHFFFAOYSA-N
XLogP4.55
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate (CID 19030846) is tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate?
The InChIKey is YJGOJXHQLDDUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-27(2,3)34-26(33)28-21-11-8-19(9-12-21)18-25(32)29-16-14-22(15-17-29)30-23-7-5-4-6-20(23)10-13-24(30)31/h4-9,11-12,22H,10,13-18H2,1-3H3,(H,28,33).
What are the key properties of tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate?
tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate has a molecular weight of 463.58 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate is sourced from PubChem (CID 19030846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).