2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide

C17H34N2O2 — CID 170371119

IUPAC2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C)(CCCOC(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-14(2)18-16(20)13-19-10-8-17(5,9-11-19)7-6-12-21-15(3)4/h14-15H,6-13H2,1-5H3,(H,18,20)
InChIKeyDZDONHYKQDFXER-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds8

About 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide

2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (PubChem CID 170371119) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
PubChem CID170371119
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(C)(CCCOC(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-14(2)18-16(20)13-19-10-8-17(5,9-11-19)7-6-12-21-15(3)4/h14-15H,6-13H2,1-5H3,(H,18,20)
InChIKeyDZDONHYKQDFXER-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide (CID 170371119) is 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(C)(CCCOC(C)C)CC1.
What is the InChIKey of 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DZDONHYKQDFXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-14(2)18-16(20)13-19-10-8-17(5,9-11-19)7-6-12-21-15(3)4/h14-15H,6-13H2,1-5H3,(H,18,20).
What are the key properties of 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide?
2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 298.47 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(3-propan-2-yloxypropyl)piperidin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 170371119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).