tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate

C23H30FN3O3 — CID 47796234

IUPACtert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCc1cc(C(=O)N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)c2ccc(F)cc2n1
InChIInChI=1S/C23H30FN3O3/c1-15-11-19(18-9-8-17(24)12-20(18)25-15)21(28)27-10-6-7-16(14-27)13-26(5)22(29)30-23(2,3)4/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3
InChIKeyGDVDMNBAXLRIGR-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.40
Rot. Bonds3

About tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 47796234) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID47796234
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Nametert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCc1cc(C(=O)N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)c2ccc(F)cc2n1
InChIInChI=1S/C23H30FN3O3/c1-15-11-19(18-9-8-17(24)12-20(18)25-15)21(28)27-10-6-7-16(14-27)13-26(5)22(29)30-23(2,3)4/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3
InChIKeyGDVDMNBAXLRIGR-UHFFFAOYSA-N
XLogP4.40
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52512093
[(3R)-3-[3-(dimethylamino)propyl-methylamino]piperidin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 95730064
tert-butyl N-methyl-N-[[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94831472
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-[[1-(2-benzoylbenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 60587387
4-[(3R)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]cyclohexa-1,3-diene-1-carboxylic acid
CID 167105970
(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
tert-butyl N-[[(3R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52754533
tert-butyl N-methyl-N-[[1-(1-oxo-2H-isoquinoline-3-carbonyl)piperidin-3-yl]methyl]carbamate
CID 47796274
tert-butyl N-[[1-(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 49027887
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate (CID 47796234) is tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate is Cc1cc(C(=O)N2CCCC(CN(C)C(=O)OC(C)(C)C)C2)c2ccc(F)cc2n1.
What is the InChIKey of tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is GDVDMNBAXLRIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-15-11-19(18-9-8-17(24)12-20(18)25-15)21(28)27-10-6-7-16(14-27)13-26(5)22(29)30-23(2,3)4/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3.
What are the key properties of tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 415.51 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 47796234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).