3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide

C13H27N3O — CID 115187655

IUPAC3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide
SMILESCNCC(C(=O)NC1CCCN(C)C1)C(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)12(8-14-3)13(17)15-11-6-5-7-16(4)9-11/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyPCLBUWQXQRSLBR-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.69
Rot. Bonds5

About 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide

3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide (PubChem CID 115187655) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide
PubChem CID115187655
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide
SMILESCNCC(C(=O)NC1CCCN(C)C1)C(C)C
InChIInChI=1S/C13H27N3O/c1-10(2)12(8-14-3)13(17)15-11-6-5-7-16(4)9-11/h10-12,14H,5-9H2,1-4H3,(H,15,17)
InChIKeyPCLBUWQXQRSLBR-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(1-methylpiperidin-3-yl)pentanamide
CID 79191755
(2R)-3-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]butanoic acid
CID 79009869
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
3-methyl-2-(methylaminomethyl)-1-(1-methylpiperidin-4-yl)butan-1-one
CID 116923575
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
2-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)pentanamide
CID 76924802
N-(cyclohexylmethyl)-3-methyl-2-(methylaminomethyl)butanamide
CID 115187727
3-methyl-4-[(1-methylpiperidin-3-yl)amino]butanoic acid
CID 115219774
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide?
The IUPAC name of 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide (CID 115187655) is 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide.
What is the SMILES notation for 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide?
The canonical SMILES for 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide is CNCC(C(=O)NC1CCCN(C)C1)C(C)C.
What is the InChIKey of 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide?
The InChIKey is PCLBUWQXQRSLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)12(8-14-3)13(17)15-11-6-5-7-16(4)9-11/h10-12,14H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide?
3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)butanamide is sourced from PubChem (CID 115187655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).