4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide

C16H32N4O — CID 118688721

IUPAC4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
SMILESCN1CCC(CNC(=O)N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,3)20-11-9-19(10-12-20)15(21)17-13-14-5-7-18(4)8-6-14/h14H,5-13H2,1-4H3,(H,17,21)
InChIKeyRSSPJAPEKBTPQS-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.45
Rot. Bonds2

About 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide

4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 118688721) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
PubChem CID118688721
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
SMILESCN1CCC(CNC(=O)N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-16(2,3)20-11-9-19(10-12-20)15(21)17-13-14-5-7-18(4)8-6-14/h14H,5-13H2,1-4H3,(H,17,21)
InChIKeyRSSPJAPEKBTPQS-UHFFFAOYSA-N
XLogP1.45
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide (CID 118688721) is 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide is CN1CCC(CNC(=O)N2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is RSSPJAPEKBTPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-16(2,3)20-11-9-19(10-12-20)15(21)17-13-14-5-7-18(4)8-6-14/h14H,5-13H2,1-4H3,(H,17,21).
What are the key properties of 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide?
4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 296.46 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 118688721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).