tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate

C17H31N3O4 — CID 25246903

IUPACtert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C17H31N3O4/c1-17(2,3)24-16(22)20-7-4-14(5-8-20)15(21)18-6-9-19-10-12-23-13-11-19/h14H,4-13H2,1-3H3,(H,18,21)
InChIKeyRNHKXIOFQGPNPV-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.08
Rot. Bonds4

About tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 25246903) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
PubChem CID25246903
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nametert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C17H31N3O4/c1-17(2,3)24-16(22)20-7-4-14(5-8-20)15(21)18-6-9-19-10-12-23-13-11-19/h14H,4-13H2,1-3H3,(H,18,21)
InChIKeyRNHKXIOFQGPNPV-UHFFFAOYSA-N
XLogP1.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate (CID 25246903) is tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is RNHKXIOFQGPNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-17(2,3)24-16(22)20-7-4-14(5-8-20)15(21)18-6-9-19-10-12-23-13-11-19/h14H,4-13H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 25246903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).