3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide

C13H27N3O — CID 103914140

IUPAC3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
SMILESCC(C)C(NCCC1CCCCN1C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)12(13(14)17)15-8-7-11-6-4-5-9-16(11)3/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyKSZPTAYPXJDMFN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide

3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide (PubChem CID 103914140) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
PubChem CID103914140
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide
SMILESCC(C)C(NCCC1CCCCN1C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)12(13(14)17)15-8-7-11-6-4-5-9-16(11)3/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyKSZPTAYPXJDMFN-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide?
The IUPAC name of 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide (CID 103914140) is 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide.
What is the SMILES notation for 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide?
The canonical SMILES for 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide is CC(C)C(NCCC1CCCCN1C)C(N)=O.
What is the InChIKey of 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide?
The InChIKey is KSZPTAYPXJDMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)12(13(14)17)15-8-7-11-6-4-5-9-16(11)3/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide?
3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide is sourced from PubChem (CID 103914140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).