3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

C17H26N2O2 — CID 109013797

IUPAC3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1cccc(CCNCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-7-5-6-15(14-16)8-10-18-11-9-17(20)19-12-3-2-4-13-19/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyPOHMIJNMDDEWTC-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.23
Rot. Bonds7

About 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 109013797) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID109013797
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESCOc1cccc(CCNCCC(=O)N2CCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-21-16-7-5-6-15(14-16)8-10-18-11-9-17(20)19-12-3-2-4-13-19/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyPOHMIJNMDDEWTC-UHFFFAOYSA-N
XLogP2.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxyphenyl)-1-piperidin-1-ylpentan-1-one
CID 56974731
3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013303
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
CID 109025652
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
CID 108994199
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739650
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylamino)propan-1-one
CID 109024278
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 109013797) is 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is COc1cccc(CCNCCC(=O)N2CCCCC2)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is POHMIJNMDDEWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16-7-5-6-15(14-16)8-10-18-11-9-17(20)19-12-3-2-4-13-19/h5-7,14,18H,2-4,8-13H2,1H3.
What are the key properties of 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 109013797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).