2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide

C16H25N3O — CID 106591180

IUPAC2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
SMILESCCN1CCCC(NC(=O)C(C)c2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-3-19-9-5-8-15(11-19)18-16(20)12(2)13-6-4-7-14(17)10-13/h4,6-7,10,12,15H,3,5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyCGXLSPSGPNKQBM-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.97
Rot. Bonds4

About 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide

2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide (PubChem CID 106591180) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
PubChem CID106591180
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
SMILESCCN1CCCC(NC(=O)C(C)c2cccc(N)c2)C1
InChIInChI=1S/C16H25N3O/c1-3-19-9-5-8-15(11-19)18-16(20)12(2)13-6-4-7-14(17)10-13/h4,6-7,10,12,15H,3,5,8-9,11,17H2,1-2H3,(H,18,20)
InChIKeyCGXLSPSGPNKQBM-UHFFFAOYSA-N
XLogP1.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
(2R)-2-amino-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 61169816
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide
CID 115343588
2-cyano-N-(1-ethylpiperidin-3-yl)-2-phenylacetamide
CID 62877371
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
CID 106591567
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-bromo-N-(1-ethylpiperidin-3-yl)propanamide
CID 107904785
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide (CID 106591180) is 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide is CCN1CCCC(NC(=O)C(C)c2cccc(N)c2)C1.
What is the InChIKey of 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide?
The InChIKey is CGXLSPSGPNKQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19-9-5-8-15(11-19)18-16(20)12(2)13-6-4-7-14(17)10-13/h4,6-7,10,12,15H,3,5,8-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide?
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide is sourced from PubChem (CID 106591180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).