2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide

C13H27N3O — CID 119849844

IUPAC2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
SMILESCC1CCN(C(CNC(=O)CN)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(9-15-13(17)8-14)16-6-4-11(3)5-7-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyPTEHQMHACYPGBU-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide

2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide (PubChem CID 119849844) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
PubChem CID119849844
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
SMILESCC1CCN(C(CNC(=O)CN)C(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(9-15-13(17)8-14)16-6-4-11(3)5-7-16/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyPTEHQMHACYPGBU-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813
1-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849849
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
2-chloro-N-[2-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-2-oxoethyl]benzamide
CID 55658916
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
2-[(4-cyanophenyl)methylsulfonyl]-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 55763584
N-[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]-2-(2-nitrophenyl)acetamide
CID 51941754
4-amino-N-(3-methyl-2-pyrrolidin-1-ylbutyl)butanamide
CID 61275431
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
3,5-diacetamido-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55658240
4-chloro-N-[4-[[3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-4-oxobutyl]benzamide
CID 55657950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide?
The IUPAC name of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide (CID 119849844) is 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide?
The canonical SMILES for 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide is CC1CCN(C(CNC(=O)CN)C(C)C)CC1.
What is the InChIKey of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide?
The InChIKey is PTEHQMHACYPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)12(9-15-13(17)8-14)16-6-4-11(3)5-7-16/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide?
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide is sourced from PubChem (CID 119849844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).