tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate

C13H25N3O3 — CID 9180460

IUPACtert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate
SMILESCN(C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-8-6-10(7-9-16)11(17)14-15(4)5/h10H,6-9H2,1-5H3,(H,14,17)
InChIKeyIJTTVDZDNHSZBT-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.23
Rot. Bonds2

About tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate (PubChem CID 9180460) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate
PubChem CID9180460
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate
SMILESCN(C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-8-6-10(7-9-16)11(17)14-15(4)5/h10H,6-9H2,1-5H3,(H,14,17)
InChIKeyIJTTVDZDNHSZBT-UHFFFAOYSA-N
XLogP1.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate (CID 9180460) is tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate is CN(C)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate?
The InChIKey is IJTTVDZDNHSZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-13(2,3)19-12(18)16-8-6-10(7-9-16)11(17)14-15(4)5/h10H,6-9H2,1-5H3,(H,14,17).
What are the key properties of tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(dimethylaminocarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 9180460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).