2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide

C16H24N2O2 — CID 68784634

IUPAC2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-16(19)13-14-5-7-15(8-6-14)20-12-4-11-18-9-2-1-3-10-18/h5-8H,1-4,9-13H2,(H2,17,19)
InChIKeyWBLRJGOIQVTWTE-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds7

About 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide

2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide (PubChem CID 68784634) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
PubChem CID68784634
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c17-16(19)13-14-5-7-15(8-6-14)20-12-4-11-18-9-2-1-3-10-18/h5-8H,1-4,9-13H2,(H2,17,19)
InChIKeyWBLRJGOIQVTWTE-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
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

4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
1-[4-[2-(azepan-1-yl)ethoxy]phenyl]propan-2-one
CID 70526687
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
ethyl 3-[4-[3-(azepan-1-yl)propoxy]phenyl]propanoate
CID 67547983
1-[8-[4-(piperidin-1-ylmethyl)phenoxy]octyl]piperidine
CID 46929919
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethylcarbamic acid
CID 166791828
6-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanoic acid
CID 142626546
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
1-[3-(4-propylphenoxy)propyl]azepane
CID 91586553
5-[4-[3-(azepan-1-yl)propoxy]phenyl]pentan-1-ol
CID 52937427

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide (CID 68784634) is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide is NC(=O)Cc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide?
The InChIKey is WBLRJGOIQVTWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-16(19)13-14-5-7-15(8-6-14)20-12-4-11-18-9-2-1-3-10-18/h5-8H,1-4,9-13H2,(H2,17,19).
What are the key properties of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide?
2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]acetamide is sourced from PubChem (CID 68784634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).