tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate

C19H26N2O5 — CID 51255258

IUPACtert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)21-10-6-8-14(12-21)16(22)20-15-9-5-7-13(11-15)17(23)25-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,20,22)
InChIKeyAURNTIRDDTZPME-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 51255258) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID51255258
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Nametert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)c1cccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)21-10-6-8-14(12-21)16(22)20-15-9-5-7-13(11-15)17(23)25-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,20,22)
InChIKeyAURNTIRDDTZPME-UHFFFAOYSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893
tert-butyl 3-[(4-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24513638
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl 3-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 47045246
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
tert-butyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 84555141
tert-butyl (3R)-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 156743217
tert-butyl 3-[[3-[(4-phenylphenyl)methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 25223091
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate (CID 51255258) is tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate is COC(=O)c1cccc(NC(=O)C2CCCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is AURNTIRDDTZPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-19(2,3)26-18(24)21-10-6-8-14(12-21)16(22)20-15-9-5-7-13(11-15)17(23)25-4/h5,7,9,11,14H,6,8,10,12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 51255258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).