4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide

C16H32N4O — CID 118688709

IUPAC4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,3)14-4-9-20(10-5-14)15(21)18-8-13-19-11-6-17-7-12-19/h14,17H,4-13H2,1-3H3,(H,18,21)
InChIKeyZTJVJUFLZQMBFI-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.36
Rot. Bonds3

About 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide

4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 118688709) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide
PubChem CID118688709
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide
SMILESCC(C)(C)C1CCN(C(=O)NCCN2CCNCC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,3)14-4-9-20(10-5-14)15(21)18-8-13-19-11-6-17-7-12-19/h14,17H,4-13H2,1-3H3,(H,18,21)
InChIKeyZTJVJUFLZQMBFI-UHFFFAOYSA-N
XLogP1.36
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide (CID 118688709) is 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide is CC(C)(C)C1CCN(C(=O)NCCN2CCNCC2)CC1.
What is the InChIKey of 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is ZTJVJUFLZQMBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-16(2,3)14-4-9-20(10-5-14)15(21)18-8-13-19-11-6-17-7-12-19/h14,17H,4-13H2,1-3H3,(H,18,21).
What are the key properties of 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide?
4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-piperazin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 118688709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).