tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate

C18H26N2O3 — CID 22049422

IUPACtert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
SMILESCC(=O)Nc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(21)19-16-7-5-6-15(12-16)14-8-10-20(11-9-14)17(22)23-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21)
InChIKeyOTFSYSDFFIZFPA-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.76
Rot. Bonds2

About tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate

tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate (PubChem CID 22049422) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
PubChem CID22049422
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
SMILESCC(=O)Nc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O3/c1-13(21)19-16-7-5-6-15(12-16)14-8-10-20(11-9-14)17(22)23-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21)
InChIKeyOTFSYSDFFIZFPA-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[3-(4-chlorobutanoylamino)phenyl]piperidine-1-carboxylate
CID 22049236
tert-butyl 4-(3-methylsulfonylphenyl)piperidine-1-carboxylate
CID 154721638
tert-butyl 4-[4-[(3-ethoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxylate
CID 69452252
tert-butyl 4-[(3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 9039069
tert-butyl 4-[3-(dimethylcarbamoyloxy)phenyl]piperidine-1-carboxylate
CID 140761652
tert-butyl pyrrolidine-1-carboxylate;N-phenylacetamide
CID 162081451
tert-butyl 4-(3-acetamidobenzoyl)-1,4-diazepane-1-carboxylate
CID 51123070
tert-butyl 4-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-1-carboxylate
CID 22048588
tert-butyl N-[3-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]phenyl]carbamate
CID 118998315
tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
CID 174864057
tert-butyl 4-[[3-[[acetyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38583979
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate (CID 22049422) is tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate is CC(=O)Nc1cccc(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate?
The InChIKey is OTFSYSDFFIZFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(21)19-16-7-5-6-15(12-16)14-8-10-20(11-9-14)17(22)23-18(2,3)4/h5-7,12,14H,8-11H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate?
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 22049422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).