2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide

C12H25N3O — CID 79201801

IUPAC2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCNCC(C)C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H25N3O/c1-11(10-13-2)12(16)14-6-9-15-7-4-3-5-8-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyLRARIBNKLKHSLX-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide

2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 79201801) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID79201801
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide
SMILESCNCC(C)C(=O)NCCN1CCCCC1
InChIInChI=1S/C12H25N3O/c1-11(10-13-2)12(16)14-6-9-15-7-4-3-5-8-15/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyLRARIBNKLKHSLX-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 104684890
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
6-amino-2-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
CID 65292561
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
2-(aminomethyl)-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 65229412
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
2-acetamido-N-[2-(azepan-1-yl)ethyl]-3-methylbutanamide
CID 47168553
(2R,3S)-2-hydroxy-3-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 155960645
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
2-(methylamino)-N-(3-piperidin-1-ylpropyl)acetamide
CID 43362949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide (CID 79201801) is 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide is CNCC(C)C(=O)NCCN1CCCCC1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is LRARIBNKLKHSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-11(10-13-2)12(16)14-6-9-15-7-4-3-5-8-15/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide?
2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 79201801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).