tert-butyl 3-pentanoylpiperidine-1-carboxylate

C15H27NO3 — CID 82092945

IUPACtert-butyl 3-pentanoylpiperidine-1-carboxylate
SMILESCCCCC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-5-6-9-13(17)12-8-7-10-16(11-12)14(18)19-15(2,3)4/h12H,5-11H2,1-4H3
InChIKeyKKOHJGAECDDBCR-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.39
Rot. Bonds4

About tert-butyl 3-pentanoylpiperidine-1-carboxylate

tert-butyl 3-pentanoylpiperidine-1-carboxylate (PubChem CID 82092945) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl 3-pentanoylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-pentanoylpiperidine-1-carboxylate
PubChem CID82092945
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl 3-pentanoylpiperidine-1-carboxylate
SMILESCCCCC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27NO3/c1-5-6-9-13(17)12-8-7-10-16(11-12)14(18)19-15(2,3)4/h12H,5-11H2,1-4H3
InChIKeyKKOHJGAECDDBCR-UHFFFAOYSA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl 3-(2-aminoacetyl)azepane-1-carboxylate
CID 83488550
tert-butyl (3S)-3-(2-cyanoacetyl)piperidine-1-carboxylate
CID 1448007
tert-butyl 3-(2-methylsulfonylacetyl)piperidine-1-carboxylate
CID 53485471
methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium
CID 58853396
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl 7-nonyl-azacyclododecane-1-carboxylate
CID 139299125
tert-butyl (3S)-3-pent-4-enoylpyrrolidine-1-carboxylate
CID 165468774
1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 47013868
potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide
CID 142544940

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pentanoylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-pentanoylpiperidine-1-carboxylate (CID 82092945) is tert-butyl 3-pentanoylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-pentanoylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-pentanoylpiperidine-1-carboxylate is CCCCC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-pentanoylpiperidine-1-carboxylate?
The InChIKey is KKOHJGAECDDBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-6-9-13(17)12-8-7-10-16(11-12)14(18)19-15(2,3)4/h12H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-pentanoylpiperidine-1-carboxylate?
tert-butyl 3-pentanoylpiperidine-1-carboxylate has a molecular weight of 269.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pentanoylpiperidine-1-carboxylate is sourced from PubChem (CID 82092945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).