4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide

C13H27N3O2 — CID 66430433

IUPAC4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
SMILESCCOC1CCN(C(CN)CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-4-18-12-5-7-16(8-6-12)11(10-14)9-13(17)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyNLKKRTFRSOVJIO-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.29
Rot. Bonds6

About 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide

4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide (PubChem CID 66430433) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
PubChem CID66430433
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
SMILESCCOC1CCN(C(CN)CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-4-18-12-5-7-16(8-6-12)11(10-14)9-13(17)15(2)3/h11-12H,4-10,14H2,1-3H3
InChIKeyNLKKRTFRSOVJIO-UHFFFAOYSA-N
XLogP0.29
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(3-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide
CID 66431044
4-amino-N,N-dimethyl-3-(4-propan-2-ylpiperidin-1-yl)butanamide
CID 103494590
4-amino-N,N-dimethyl-3-(4-propan-2-ylazepan-1-yl)butanamide
CID 66431049
3-amino-2-(4-ethoxypiperidin-1-yl)propan-1-ol
CID 104710860
2-(4-ethoxypiperidin-1-yl)hexan-1-amine
CID 61351754
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
4-amino-N,N-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 66432074
4-amino-3-(4-tert-butylpiperazin-1-yl)-N,N-dimethylbutanamide
CID 66432276
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-amino-N,N-dimethylbutanamide
CID 115559262
3-(4-ethoxypiperidin-1-yl)pentan-1-amine
CID 61218236
3-(4-ethoxypiperidin-1-yl)pentanethioamide
CID 61220712
4-amino-N,N-dimethyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)butanamide
CID 66432282

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide (CID 66430433) is 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide is CCOC1CCN(C(CN)CC(=O)N(C)C)CC1.
What is the InChIKey of 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide?
The InChIKey is NLKKRTFRSOVJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-18-12-5-7-16(8-6-12)11(10-14)9-13(17)15(2)3/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide?
4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide has a molecular weight of 257.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-ethoxypiperidin-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 66430433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).