2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide

C12H25N3O — CID 61266440

IUPAC2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCN(CCNC(=O)C(C)(C)N)CC1
InChIInChI=1S/C12H25N3O/c1-10-4-7-15(8-5-10)9-6-14-11(16)12(2,3)13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyIUXHEEFBWIFDBM-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.57
Rot. Bonds4

About 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide

2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 61266440) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID61266440
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
SMILESCC1CCN(CCNC(=O)C(C)(C)N)CC1
InChIInChI=1S/C12H25N3O/c1-10-4-7-15(8-5-10)9-6-14-11(16)12(2,3)13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyIUXHEEFBWIFDBM-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide (CID 61266440) is 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide is CC1CCN(CCNC(=O)C(C)(C)N)CC1.
What is the InChIKey of 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is IUXHEEFBWIFDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-4-7-15(8-5-10)9-6-14-11(16)12(2,3)13/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide?
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 61266440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).