2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide

C13H27N3O — CID 43312067

IUPAC2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
SMILESCC(CNCCCN1CCCCC1C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-11(13(14)17)10-15-7-5-9-16-8-4-3-6-12(16)2/h11-12,15H,3-10H2,1-2H3,(H2,14,17)
InChIKeyNALVWLCHIOLOGJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide

2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide (PubChem CID 43312067) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide.

Molecular Properties

Compound Name2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
PubChem CID43312067
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
SMILESCC(CNCCCN1CCCCC1C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-11(13(14)17)10-15-7-5-9-16-8-4-3-6-12(16)2/h11-12,15H,3-10H2,1-2H3,(H2,14,17)
InChIKeyNALVWLCHIOLOGJ-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179746
N-(3-methylbutan-2-yl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60696032
N-(3-methylbutyl)-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 60673190
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
N-(2,2-diethoxyethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 81094325
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
N,N-dimethyl-2-[3-(2-methylpiperidin-1-yl)propylamino]propanamide
CID 43086437

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide?
The IUPAC name of 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide (CID 43312067) is 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide.
What is the SMILES notation for 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide?
The canonical SMILES for 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide is CC(CNCCCN1CCCCC1C)C(N)=O.
What is the InChIKey of 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide?
The InChIKey is NALVWLCHIOLOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(13(14)17)10-15-7-5-9-16-8-4-3-6-12(16)2/h11-12,15H,3-10H2,1-2H3,(H2,14,17).
What are the key properties of 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide?
2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-(2-methylpiperidin-1-yl)propylamino]propanamide is sourced from PubChem (CID 43312067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).