tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate

C20H27N3O2 — CID 172826509

IUPACtert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)22(4)15-10-13-23(14-11-15)18-9-12-21-17-8-6-5-7-16(17)18/h5-9,12,15H,10-11,13-14H2,1-4H3
InChIKeyUXYITUFLPKNLFE-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.07
Rot. Bonds2

About tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate

tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate (PubChem CID 172826509) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
PubChem CID172826509
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Nametert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)22(4)15-10-13-23(14-11-15)18-9-12-21-17-8-6-5-7-16(17)18/h5-9,12,15H,10-11,13-14H2,1-4H3
InChIKeyUXYITUFLPKNLFE-UHFFFAOYSA-N
XLogP4.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-(1-quinolin-4-ylpiperidin-4-yl)pyrazole-4-carboxamide
CID 175650893
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)cyclopropanesulfonamide
CID 163349602
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 66798728
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
1-quinolin-4-ylpiperidine-4-carbaldehyde
CID 62663267
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl 2-benzyl-4-quinolin-4-ylpiperazine-1-carboxylate
CID 24947264
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
CID 97166923
4-[4-(2-methylsulfanylethyl)piperidin-1-yl]quinoline
CID 157041181

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate (CID 172826509) is tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate is CN(C(=O)OC(C)(C)C)C1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate?
The InChIKey is UXYITUFLPKNLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)22(4)15-10-13-23(14-11-15)18-9-12-21-17-8-6-5-7-16(17)18/h5-9,12,15H,10-11,13-14H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate?
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate has a molecular weight of 341.46 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 172826509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).