tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate

C23H34N2O3 — CID 24958871

IUPACtert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C23H34N2O3/c1-17(26)18-5-7-21(8-6-18)24-13-9-19(10-14-24)20-11-15-25(16-12-20)22(27)28-23(2,3)4/h5-8,19-20H,9-16H2,1-4H3
InChIKeyMUZLANQKAWPCBM-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.75
Rot. Bonds3

About tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate (PubChem CID 24958871) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate
PubChem CID24958871
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Nametert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate
SMILESCC(=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C23H34N2O3/c1-17(26)18-5-7-21(8-6-18)24-13-9-19(10-14-24)20-11-15-25(16-12-20)22(27)28-23(2,3)4/h5-8,19-20H,9-16H2,1-4H3
InChIKeyMUZLANQKAWPCBM-UHFFFAOYSA-N
XLogP4.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate (CID 24958871) is tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate is CC(=O)c1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
The InChIKey is MUZLANQKAWPCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-17(26)18-5-7-21(8-6-18)24-13-9-19(10-14-24)20-11-15-25(16-12-20)22(27)28-23(2,3)4/h5-8,19-20H,9-16H2,1-4H3.
What are the key properties of tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate has a molecular weight of 386.54 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(4-acetylphenyl)piperidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 24958871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).