tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate

C18H26N2O4 — CID 118515441

IUPACtert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate
SMILESCNC(=O)C1(Oc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26N2O4/c1-17(2,3)24-16(22)20-12-10-18(11-13-20,15(21)19-4)23-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,19,21)
InChIKeyZSFNOSINIQLSDL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.58
Rot. Bonds3

About tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate

tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate (PubChem CID 118515441) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate
PubChem CID118515441
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nametert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate
SMILESCNC(=O)C1(Oc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26N2O4/c1-17(2,3)24-16(22)20-12-10-18(11-13-20,15(21)19-4)23-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,19,21)
InChIKeyZSFNOSINIQLSDL-UHFFFAOYSA-N
XLogP2.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-iodo-4-phenoxypiperidine-1-carboxylate
CID 121429990
N-methyl-1-(2-methylpropyl)-4-phenoxypiperidine-4-carboxamide
CID 175311415
tert-butyl 4-methyl-4-phenoxypiperidine-1-carboxylate;methane;4-methyl-4-phenoxypiperidine;hydrochloride
CID 160573950
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
tert-butyl 4-phenyl-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 22741767
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl 4-phenyl-4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 67422951
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanedioic acid
CID 4891661
(2S)-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]butanedioic acid
CID 7665210
tert-butyl 4-(hydroxycarbamoyl)-4-(4-phenoxyphenyl)sulfonylpiperidine-1-carboxylate;hydrochloride
CID 11598734

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate (CID 118515441) is tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate is CNC(=O)C1(Oc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate?
The InChIKey is ZSFNOSINIQLSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-17(2,3)24-16(22)20-12-10-18(11-13-20,15(21)19-4)23-14-8-6-5-7-9-14/h5-9H,10-13H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate?
tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate is sourced from PubChem (CID 118515441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).