2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide

C12H25N3O2 — CID 55080821

IUPAC2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide
SMILESCCN1CCCC(NC(=O)C(N)CCOC)C1
InChIInChI=1S/C12H25N3O2/c1-3-15-7-4-5-10(9-15)14-12(16)11(13)6-8-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyAGUFEPBBUPZZAC-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds6

About 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide

2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide (PubChem CID 55080821) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide
PubChem CID55080821
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide
SMILESCCN1CCCC(NC(=O)C(N)CCOC)C1
InChIInChI=1S/C12H25N3O2/c1-3-15-7-4-5-10(9-15)14-12(16)11(13)6-8-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyAGUFEPBBUPZZAC-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
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N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide?
The IUPAC name of 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide (CID 55080821) is 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide is CCN1CCCC(NC(=O)C(N)CCOC)C1.
What is the InChIKey of 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide?
The InChIKey is AGUFEPBBUPZZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-15-7-4-5-10(9-15)14-12(16)11(13)6-8-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide?
2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylpiperidin-3-yl)-4-methoxybutanamide is sourced from PubChem (CID 55080821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).