methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate

C19H29N3O3 — CID 22766434

IUPACmethyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)NCc2ccccc2)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H29N3O3/c1-17(2)12-19(15(23)25-5,13-18(3,4)22-17)21-16(24)20-11-14-9-7-6-8-10-14/h6-10,22H,11-13H2,1-5H3,(H2,20,21,24)
InChIKeyGWQROCXUGUHXCJ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.34
Rot. Bonds4

About methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate

methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate (PubChem CID 22766434) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate
PubChem CID22766434
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Namemethyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)NCc2ccccc2)CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H29N3O3/c1-17(2)12-19(15(23)25-5,13-18(3,4)22-17)21-16(24)20-11-14-9-7-6-8-10-14/h6-10,22H,11-13H2,1-5H3,(H2,20,21,24)
InChIKeyGWQROCXUGUHXCJ-UHFFFAOYSA-N
XLogP2.34
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate (CID 22766434) is methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate is COC(=O)C1(NC(=O)NCc2ccccc2)CC(C)(C)NC(C)(C)C1.
What is the InChIKey of methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate?
The InChIKey is GWQROCXUGUHXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-17(2)12-19(15(23)25-5,13-18(3,4)22-17)21-16(24)20-11-14-9-7-6-8-10-14/h6-10,22H,11-13H2,1-5H3,(H2,20,21,24).
What are the key properties of methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate?
methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate has a molecular weight of 347.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzylcarbamoylamino)-2,2,6,6-tetramethylpiperidine-4-carboxylate is sourced from PubChem (CID 22766434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).