tert-butyl 4-phenacylpiperidine-1-carboxylate

C18H25NO3 — CID 137373276

IUPACtert-butyl 4-phenacylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19-11-9-14(10-12-19)13-16(20)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyWAXLZWWQAQFQFD-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl 4-phenacylpiperidine-1-carboxylate

tert-butyl 4-phenacylpiperidine-1-carboxylate (PubChem CID 137373276) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl 4-phenacylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-phenacylpiperidine-1-carboxylate
PubChem CID137373276
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl 4-phenacylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CC(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19-11-9-14(10-12-19)13-16(20)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3
InChIKeyWAXLZWWQAQFQFD-UHFFFAOYSA-N
XLogP3.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[2-(3-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate
CID 68676536
tert-butyl 4-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-1-carboxylate
CID 90815171
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-[2-[[(E)-N-hydroxy-C-phenylcarbonimidoyl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 136600594
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-(2-benzoyloxy-2,2-dideuterioethyl)piperidine-1-carboxylate
CID 155269118
tert-butyl 4-[2-(N-ethylanilino)-2-oxoethyl]piperidine-1-carboxylate
CID 52775607
tert-butyl 4-(2-phenoxyethyl)piperidine-1-carboxylate
CID 58808100
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
tert-butyl 4-[2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 58591086
tert-butyl 4-(benzenesulfonyloxymethyl)piperidine-1-carboxylate
CID 22243788
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-phenacylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-phenacylpiperidine-1-carboxylate (CID 137373276) is tert-butyl 4-phenacylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-phenacylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-phenacylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CC(=O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-phenacylpiperidine-1-carboxylate?
The InChIKey is WAXLZWWQAQFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19-11-9-14(10-12-19)13-16(20)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3.
What are the key properties of tert-butyl 4-phenacylpiperidine-1-carboxylate?
tert-butyl 4-phenacylpiperidine-1-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-phenacylpiperidine-1-carboxylate is sourced from PubChem (CID 137373276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).