2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide

C12H25N3O — CID 115313029

IUPAC2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(N)CC1C
InChIInChI=1S/C12H25N3O/c1-4-6-14-12(16)10(3)15-7-5-11(13)8-9(15)2/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyUTZVPTRDBSGWTR-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide

2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide (PubChem CID 115313029) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide
PubChem CID115313029
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)N1CCC(N)CC1C
InChIInChI=1S/C12H25N3O/c1-4-6-14-12(16)10(3)15-7-5-11(13)8-9(15)2/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyUTZVPTRDBSGWTR-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide?
The IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide (CID 115313029) is 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide.
What is the SMILES notation for 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide?
The canonical SMILES for 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide is CCCNC(=O)C(C)N1CCC(N)CC1C.
What is the InChIKey of 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide?
The InChIKey is UTZVPTRDBSGWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-6-14-12(16)10(3)15-7-5-11(13)8-9(15)2/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide?
2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide is sourced from PubChem (CID 115313029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).