tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate

C24H31N3O4 — CID 22499501

IUPACtert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate
SMILESCc1cccc(OC2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)CC2)n1
InChIInChI=1S/C24H31N3O4/c1-18-9-8-12-21(25-18)30-20-13-15-26(16-14-20)22(28)17-27(19-10-6-5-7-11-19)23(29)31-24(2,3)4/h5-12,20H,13-17H2,1-4H3
InChIKeySCQMYUZMHLMZTC-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.20
Rot. Bonds5

About tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate

tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate (PubChem CID 22499501) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate
PubChem CID22499501
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Nametert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate
SMILESCc1cccc(OC2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)CC2)n1
InChIInChI=1S/C24H31N3O4/c1-18-9-8-12-21(25-18)30-20-13-15-26(16-14-20)22(28)17-27(19-10-6-5-7-11-19)23(29)31-24(2,3)4/h5-12,20H,13-17H2,1-4H3
InChIKeySCQMYUZMHLMZTC-UHFFFAOYSA-N
XLogP4.20
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-oxo-2-(4-pyridin-2-yloxypiperidin-1-yl)ethyl]-N-pyridin-2-ylcarbamate
CID 22499456
tert-butyl N-[2-oxo-2-[4-(pyridin-3-ylamino)piperidin-1-yl]ethyl]-N-phenylcarbamate
CID 22499476
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
cyclobutyl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 72717362
(4R)-4-[4-[(6-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 97427086
(3S)-3-[(6-methyl-2-pyridinyl)oxy]-N-(naphthalen-1-ylmethyl)pyrrolidine-1-carboxamide
CID 129416846
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
2-methyl-6-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]oxypyridine
CID 86800334
(2,5-dichlorophenyl)-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799558
[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71799599
1,3-benzodioxol-5-yl-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
CID 71799555
[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
CID 91628389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate?
The IUPAC name of tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate (CID 22499501) is tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate?
The canonical SMILES for tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate is Cc1cccc(OC2CCN(C(=O)CN(C(=O)OC(C)(C)C)c3ccccc3)CC2)n1.
What is the InChIKey of tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate?
The InChIKey is SCQMYUZMHLMZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-18-9-8-12-21(25-18)30-20-13-15-26(16-14-20)22(28)17-27(19-10-6-5-7-11-19)23(29)31-24(2,3)4/h5-12,20H,13-17H2,1-4H3.
What are the key properties of tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate?
tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate has a molecular weight of 425.53 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[(6-methyl-2-pyridinyl)oxy]piperidin-1-yl]-2-oxoethyl]-N-phenylcarbamate is sourced from PubChem (CID 22499501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).