tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate

C31H45N3O4S — CID 163877884

IUPACtert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CO)C(=O)N1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C31H45N3O4S/c1-28(2,3)38-27(37)33-31(8,19-35)26(36)34-15-11-20(12-16-34)25-32-24(18-39-25)21-9-10-22-23(17-21)30(6,7)14-13-29(22,4)5/h9-10,17-18,20,35H,11-16,19H2,1-8H3,(H,33,37)
InChIKeyPQNFBPDXUTXMBK-UHFFFAOYSA-N
MW555.79 g/mol
LogP6.14
Rot. Bonds5

About tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 163877884) has the molecular formula C31H45N3O4S and a molecular weight of 555.79 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate
PubChem CID163877884
Molecular FormulaC31H45N3O4S
Molecular Weight555.79 g/mol
Exact Mass555.31
IUPAC Nametert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(CO)C(=O)N1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1
InChIInChI=1S/C31H45N3O4S/c1-28(2,3)38-27(37)33-31(8,19-35)26(36)34-15-11-20(12-16-34)25-32-24(18-39-25)21-9-10-22-23(17-21)30(6,7)14-13-29(22,4)5/h9-10,17-18,20,35H,11-16,19H2,1-8H3,(H,33,37)
InChIKeyPQNFBPDXUTXMBK-UHFFFAOYSA-N
XLogP6.14
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.79
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl (3S)-7-hydroxy-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]heptanoate
CID 58246448
tert-butyl 2-[[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbonyl]oxymethyl]morpholine-4-carboxylate
CID 45107901
3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide
CID 45107664
(3S)-3-amino-4-oxo-4-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]butanamide
CID 58246490
5-methoxy-4-methyl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 143916684
4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carbaldehyde
CID 143916643
(2R)-2-amino-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol
CID 67324547
2-methyl-3-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-ol
CID 123516451
N,N-dimethyl-2-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]ethanamine
CID 44622127
N-(4,5-dimethyl-2-nitrophenyl)-4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 23911989
3-methoxypropan-1-ol;3-methoxypropyl 4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate;2-piperidin-4-yl-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazole;hydrobromide
CID 158556123
2-amino-3-(1H-imidazol-5-yl)-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-1-one
CID 67165702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate (CID 163877884) is tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(CO)C(=O)N1CCC(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)cs2)CC1.
What is the InChIKey of tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is PQNFBPDXUTXMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O4S/c1-28(2,3)38-27(37)33-31(8,19-35)26(36)34-15-11-20(12-16-34)25-32-24(18-39-25)21-9-10-22-23(17-21)30(6,7)14-13-29(22,4)5/h9-10,17-18,20,35H,11-16,19H2,1-8H3,(H,33,37).
What are the key properties of tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 555.79 g/mol, XLogP of 6.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-2-methyl-1-oxo-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 163877884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).