tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate

C23H36N4O3 — CID 118673169

IUPACtert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)cc2[C@H](N)[C@@H](C)[C@@H]1C
InChIInChI=1S/C23H36N4O3/c1-14-15(2)27(16(3)28)20-8-7-18(13-19(20)21(14)24)26-11-9-17(10-12-26)25-22(29)30-23(4,5)6/h7-8,13-15,17,21H,9-12,24H2,1-6H3,(H,25,29)/t14-,15-,21+/m0/s1
InChIKeyFCSNZJDMLSWCNB-VFCRVFHLSA-N
MW416.57 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate (PubChem CID 118673169) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
PubChem CID118673169
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Nametert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
SMILESCC(=O)N1c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)cc2[C@H](N)[C@@H](C)[C@@H]1C
InChIInChI=1S/C23H36N4O3/c1-14-15(2)27(16(3)28)20-8-7-18(13-19(20)21(14)24)26-11-9-17(10-12-26)25-22(29)30-23(4,5)6/h7-8,13-15,17,21H,9-12,24H2,1-6H3,(H,25,29)/t14-,15-,21+/m0/s1
InChIKeyFCSNZJDMLSWCNB-VFCRVFHLSA-N
XLogP3.57
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(2S,4R)-1-acetyl-4-anilino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate
CID 163601887
N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-4,4-dimethylpentanamide
CID 90434637
1-[4-amino-2,3-dimethyl-6-(2-methylpyrrolidin-1-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660148
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
N-[1-[(2S,3R)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]-2-ethyl-3,3-dimethylbutanamide
CID 139325951
3-[2-amino-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]phenoxy]propyl acetate
CID 172562068
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
tert-butyl N-[(3R)-1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 141496913
tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate
CID 118954527
tert-butyl N-[1-(2-bromo-4-nitrophenyl)piperidin-4-yl]carbamate
CID 133328196

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate (CID 118673169) is tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate is CC(=O)N1c2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)cc2[C@H](N)[C@@H](C)[C@@H]1C.
What is the InChIKey of tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate?
The InChIKey is FCSNZJDMLSWCNB-VFCRVFHLSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-14-15(2)27(16(3)28)20-8-7-18(13-19(20)21(14)24)26-11-9-17(10-12-26)25-22(29)30-23(4,5)6/h7-8,13-15,17,21H,9-12,24H2,1-6H3,(H,25,29)/t14-,15-,21+/m0/s1.
What are the key properties of tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate has a molecular weight of 416.57 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2S,3R,4R)-1-acetyl-4-amino-2,3-dimethyl-3,4-dihydro-2H-quinolin-6-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 118673169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).