4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide

C13H27N3O — CID 115157360

IUPAC4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
SMILESCN1CCCC(CNC(=O)CC(C)(C)CN)C1
InChIInChI=1S/C13H27N3O/c1-13(2,10-14)7-12(17)15-8-11-5-4-6-16(3)9-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyFPGMLCKHDCYVGZ-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide

4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide (PubChem CID 115157360) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
PubChem CID115157360
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
SMILESCN1CCCC(CNC(=O)CC(C)(C)CN)C1
InChIInChI=1S/C13H27N3O/c1-13(2,10-14)7-12(17)15-8-11-5-4-6-16(3)9-11/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyFPGMLCKHDCYVGZ-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

3,3-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 62934562
4-amino-3,3-dimethyl-N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]butanamide
CID 115157486
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
4-amino-N-(2-cyclohexylethyl)-3,3-dimethylbutanamide
CID 115157434
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95201029
2,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 115428664
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649
2-methyl-2-[(1-methylpiperidin-3-yl)methylamino]propanoic acid
CID 114999324
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 65242512
5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933861
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The IUPAC name of 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide (CID 115157360) is 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The canonical SMILES for 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide is CN1CCCC(CNC(=O)CC(C)(C)CN)C1.
What is the InChIKey of 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The InChIKey is FPGMLCKHDCYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,10-14)7-12(17)15-8-11-5-4-6-16(3)9-11/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide 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 4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide is sourced from PubChem (CID 115157360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).