3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

C16H23ClN2O — CID 109013807

IUPAC3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNCCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H23ClN2O/c17-15-6-4-14(5-7-15)8-10-18-11-9-16(20)19-12-2-1-3-13-19/h4-7,18H,1-3,8-13H2
InChIKeyNMTAGQSIGXIKNE-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.87
Rot. Bonds6

About 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one

3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 109013807) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID109013807
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNCCc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C16H23ClN2O/c17-15-6-4-14(5-7-15)8-10-18-11-9-16(20)19-12-2-1-3-13-19/h4-7,18H,1-3,8-13H2
InChIKeyNMTAGQSIGXIKNE-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 60672436
3-[2-(4-chlorophenyl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109028026
3-[2-(3-chlorophenyl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013303
1-(4-benzylpiperazin-1-yl)-3-[2-(4-chlorophenyl)ethylamino]propan-1-one
CID 109026849
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
3-[3-(4-chlorophenyl)propoxy]-1-piperidin-1-ylpropan-1-one
CID 163323866
4-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 2236890
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797
1-(azepan-1-yl)-2-[2-(3-chlorophenyl)ethylamino]ethanone
CID 109006698
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one (CID 109013807) is 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is O=C(CCNCCc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is NMTAGQSIGXIKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c17-15-6-4-14(5-7-15)8-10-18-11-9-16(20)19-12-2-1-3-13-19/h4-7,18H,1-3,8-13H2.
What are the key properties of 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one?
3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 294.83 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 109013807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).