2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide

C12H25N3O — CID 120774308

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)14-11(16)7-15-6-5-10(13)12(3,4)8-15/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeySRUYEKIYTXCDMO-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide (PubChem CID 120774308) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
PubChem CID120774308
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C12H25N3O/c1-9(2)14-11(16)7-15-6-5-10(13)12(3,4)8-15/h9-10H,5-8,13H2,1-4H3,(H,14,16)
InChIKeySRUYEKIYTXCDMO-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide (CID 120774308) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCC(N)C(C)(C)C1.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is SRUYEKIYTXCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)14-11(16)7-15-6-5-10(13)12(3,4)8-15/h9-10H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 120774308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).