2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine

C23H36N4O — CID 16676938

IUPAC2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESC=CCn1ncc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)c1C
InChIInChI=1S/C23H36N4O/c1-8-11-27-18(3)19(14-24-27)15-26(16-21-10-9-17(2)28-21)20-12-22(4,5)25-23(6,7)13-20/h8-10,14,20,25H,1,11-13,15-16H2,2-7H3
InChIKeyLVBASNODUQRSIP-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.59
Rot. Bonds7

About 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 16676938) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID16676938
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESC=CCn1ncc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)c1C
InChIInChI=1S/C23H36N4O/c1-8-11-27-18(3)19(14-24-27)15-26(16-21-10-9-17(2)28-21)20-12-22(4,5)25-23(6,7)13-20/h8-10,14,20,25H,1,11-13,15-16H2,2-7H3
InChIKeyLVBASNODUQRSIP-UHFFFAOYSA-N
XLogP4.59
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine (CID 16676938) is 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine is C=CCn1ncc(CN(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)c1C.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is LVBASNODUQRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-8-11-27-18(3)19(14-24-27)15-26(16-21-10-9-17(2)28-21)20-12-22(4,5)25-23(6,7)13-20/h8-10,14,20,25H,1,11-13,15-16H2,2-7H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 384.57 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(5-methylfuran-2-yl)methyl]-N-[(5-methyl-1-prop-2-enylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 16676938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).