tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate

C21H29N3O2 — CID 133400609

IUPACtert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
SMILESCCc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2n1
InChIInChI=1S/C21H29N3O2/c1-5-15-14-19(17-8-6-7-9-18(17)22-15)24-12-10-16(11-13-24)23-20(25)26-21(2,3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H,23,25)
InChIKeyKQEBTRHYRNOSKH-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.29
Rot. Bonds3

About tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate (PubChem CID 133400609) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
PubChem CID133400609
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Nametert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
SMILESCCc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2n1
InChIInChI=1S/C21H29N3O2/c1-5-15-14-19(17-8-6-7-9-18(17)22-15)24-12-10-16(11-13-24)23-20(25)26-21(2,3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H,23,25)
InChIKeyKQEBTRHYRNOSKH-UHFFFAOYSA-N
XLogP4.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 133401169
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-[(4-methylquinazolin-2-yl)methyl]piperidin-4-yl]carbamate
CID 60512788
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-[2-(aminomethyl)phenyl]piperidin-4-yl]carbamate
CID 67417632
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
CID 139326760
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 71648476
tert-butyl N-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]carbamate
CID 71632096
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate (CID 133400609) is tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate is CCc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2n1.
What is the InChIKey of tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is KQEBTRHYRNOSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-5-15-14-19(17-8-6-7-9-18(17)22-15)24-12-10-16(11-13-24)23-20(25)26-21(2,3)4/h6-9,14,16H,5,10-13H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 355.48 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 133400609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).