2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide

C13H27N3O — CID 106632099

IUPAC2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
SMILESCC(CN(CC1CCCCN1)C(C)C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)16(8-11(3)13(14)17)9-12-6-4-5-7-15-12/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyMYURWQAFHDZRGT-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds6

About 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide

2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide (PubChem CID 106632099) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound Name2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
PubChem CID106632099
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
SMILESCC(CN(CC1CCCCN1)C(C)C)C(N)=O
InChIInChI=1S/C13H27N3O/c1-10(2)16(8-11(3)13(14)17)9-12-6-4-5-7-15-12/h10-12,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyMYURWQAFHDZRGT-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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Related Compounds

ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-1-ol
CID 106614823
2-[piperidin-2-ylmethyl(propan-2-yl)amino]butanamide
CID 106632123
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462
N-cyclohexyl-2-[piperidin-2-ylmethyl(propan-2-yl)amino]acetamide
CID 106631855
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-yn-1-amine
CID 106632063
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
The IUPAC name of 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide (CID 106632099) is 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
The canonical SMILES for 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide is CC(CN(CC1CCCCN1)C(C)C)C(N)=O.
What is the InChIKey of 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
The InChIKey is MYURWQAFHDZRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)16(8-11(3)13(14)17)9-12-6-4-5-7-15-12/h10-12,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide?
2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide 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 2-methyl-3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 106632099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).