tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate

C18H33N3O4 — CID 3913788

IUPACtert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)21-9-5-15(6-10-21)16(22)19-7-4-8-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,22)
InChIKeyBZXHPCFRIDPSJI-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.47
Rot. Bonds5

About tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate (PubChem CID 3913788) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate
PubChem CID3913788
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Nametert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)21-9-5-15(6-10-21)16(22)19-7-4-8-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,22)
InChIKeyBZXHPCFRIDPSJI-UHFFFAOYSA-N
XLogP1.47
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate (CID 3913788) is tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is BZXHPCFRIDPSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)21-9-5-15(6-10-21)16(22)19-7-4-8-20-11-13-24-14-12-20/h15H,4-14H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-morpholin-4-ylpropylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 3913788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).