tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate

C16H22N2O3 — CID 16671359

IUPACtert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccnc2)C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-5-7-13(11-18)14(19)12-6-4-8-17-10-12/h4,6,8,10,13H,5,7,9,11H2,1-3H3/t13-/m1/s1
InChIKeyFXEXBMCNCCBCPX-CYBMUJFWSA-N
MW290.36 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate

tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate (PubChem CID 16671359) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
PubChem CID16671359
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccnc2)C1
InChIInChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-5-7-13(11-18)14(19)12-6-4-8-17-10-12/h4,6,8,10,13H,5,7,9,11H2,1-3H3/t13-/m1/s1
InChIKeyFXEXBMCNCCBCPX-CYBMUJFWSA-N
XLogP2.91
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(6-methoxypyridine-3-carbonyl)piperidine-1-carboxylate
CID 164888365
tert-butyl 3-(4-methylbenzoyl)piperidine-1-carboxylate
CID 122200685
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl piperidine-1-carboxylate;pyridin-3-amine
CID 172593579
tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
CID 59382852
[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 70779809
tert-butyl 3-(2-pyridin-3-ylacetyl)pyrrolidine-1-carboxylate
CID 107092081
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
tert-butyl 3-(4-methoxy-3-methylbenzoyl)piperidine-1-carboxylate
CID 122359770
tert-butyl 3-[4-(hydroxymethyl)naphthalene-2-carbonyl]piperidine-1-carboxylate
CID 121473838
tert-butyl 3-(4-phenylmethoxybenzoyl)piperidine-1-carboxylate
CID 164888367

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate (CID 16671359) is tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)c2cccnc2)C1.
What is the InChIKey of tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate?
The InChIKey is FXEXBMCNCCBCPX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-5-7-13(11-18)14(19)12-6-4-8-17-10-12/h4,6,8,10,13H,5,7,9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 16671359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).