tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate

C18H26N2O3 — CID 27281793

IUPACtert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate
SMILESCNC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-11-9-14(10-12-20)13-5-7-15(8-6-13)16(21)19-4/h5-8,14H,9-12H2,1-4H3,(H,19,21)
InChIKeyAAEVPDXWHPPQKW-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate

tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate (PubChem CID 27281793) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate
PubChem CID27281793
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate
SMILESCNC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-11-9-14(10-12-20)13-5-7-15(8-6-13)16(21)19-4/h5-8,14H,9-12H2,1-4H3,(H,19,21)
InChIKeyAAEVPDXWHPPQKW-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate (CID 27281793) is tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate is CNC(=O)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate?
The InChIKey is AAEVPDXWHPPQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)23-17(22)20-11-9-14(10-12-20)13-5-7-15(8-6-13)16(21)19-4/h5-8,14H,9-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate?
tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(methylcarbamoyl)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 27281793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).