tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate

C17H24N2O3 — CID 67465657

IUPACtert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
SMILESCC(=O)C1(c2ccccn2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-13(20)17(14-7-5-6-10-18-14)8-11-19(12-9-17)15(21)22-16(2,3)4/h5-7,10H,8-9,11-12H2,1-4H3
InChIKeyJPSZJYWTWFGZBT-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate

tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate (PubChem CID 67465657) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
PubChem CID67465657
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate
SMILESCC(=O)C1(c2ccccn2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H24N2O3/c1-13(20)17(14-7-5-6-10-18-14)8-11-19(12-9-17)15(21)22-16(2,3)4/h5-7,10H,8-9,11-12H2,1-4H3
InChIKeyJPSZJYWTWFGZBT-UHFFFAOYSA-N
XLogP2.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 53439111
tert-butyl 4-methyl-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 162726086
tert-butyl 4-fluoro-4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 69455005
tert-butyl 3-(methoxycarbonylamino)-3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 22236948
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(pyridine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 118570228
tert-butyl 3-(oxiran-2-yl)-3-pyridin-2-ylazetidine-1-carboxylate
CID 135396869
2-bromopyridine;tert-butyl 4-hydroxy-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-pyridin-2-yloxypiperidine-1-carboxylate
CID 162176362
tert-butyl 12-(pyridine-2-carbonyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane-8-carboxylate
CID 118570220
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate (CID 67465657) is tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate is CC(=O)C1(c2ccccn2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate?
The InChIKey is JPSZJYWTWFGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(20)17(14-7-5-6-10-18-14)8-11-19(12-9-17)15(21)22-16(2,3)4/h5-7,10H,8-9,11-12H2,1-4H3.
What are the key properties of tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate?
tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-acetyl-4-pyridin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 67465657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).