2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide

C12H25N3O — CID 79809510

IUPAC2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(N)(CC)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-12(13,5-2)11(16)14-10-6-8-15(3)9-7-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNJCYAEJSSSNHMW-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds4

About 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide

2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 79809510) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID79809510
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(N)(CC)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-12(13,5-2)11(16)14-10-6-8-15(3)9-7-10/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyNJCYAEJSSSNHMW-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 79814600
2-amino-3,3,3-trifluoro-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 79797253
N'-(1-methylpiperidin-4-yl)oxamide;hydrochloride
CID 22934824
ethyl N-(1-methylpiperidin-4-yl)carbamate
CID 58960911
2-amino-2-ethyl-N-(oxolan-3-yl)butanamide
CID 80712528
2-amino-N-(1-ethylpiperidin-4-yl)-2-methylpropanamide
CID 61266826
3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 65269836
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834906
N-(1-methylpiperidin-4-yl)-2-sulfanylbutanamide
CID 130645036
2-amino-2-methyl-N-[4-[(1-methylpiperidin-4-yl)carbamoylamino]phenyl]propanamide;dihydrochloride
CID 119890834
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide (CID 79809510) is 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide is CCC(N)(CC)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is NJCYAEJSSSNHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-12(13,5-2)11(16)14-10-6-8-15(3)9-7-10/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide?
2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 79809510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).