tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate

C19H28N2O3 — CID 129076809

IUPACtert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-5-17(22)21(15-9-7-6-8-10-15)16-11-13-20(14-12-16)18(23)24-19(2,3)4/h6-10,16H,5,11-14H2,1-4H3
InChIKeyUAGLVIIAMZPKIK-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.83
Rot. Bonds3

About tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate

tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate (PubChem CID 129076809) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate
PubChem CID129076809
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Nametert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H28N2O3/c1-5-17(22)21(15-9-7-6-8-10-15)16-11-13-20(14-12-16)18(23)24-19(2,3)4/h6-10,16H,5,11-14H2,1-4H3
InChIKeyUAGLVIIAMZPKIK-UHFFFAOYSA-N
XLogP3.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate (CID 129076809) is tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate is CCC(=O)N(c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate?
The InChIKey is UAGLVIIAMZPKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-17(22)21(15-9-7-6-8-10-15)16-11-13-20(14-12-16)18(23)24-19(2,3)4/h6-10,16H,5,11-14H2,1-4H3.
What are the key properties of tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate?
tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(N-propanoylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 129076809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).