2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide

C16H22N2O2 — CID 115926022

IUPAC2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c17-16(20)12-13-6-9-18(10-7-13)11-8-15(19)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H2,17,20)
InChIKeyUCSQMQVKDHFBLR-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.85
Rot. Bonds6

About 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide

2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide (PubChem CID 115926022) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide
PubChem CID115926022
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c17-16(20)12-13-6-9-18(10-7-13)11-8-15(19)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H2,17,20)
InChIKeyUCSQMQVKDHFBLR-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-(4-propylpiperidin-1-yl)propan-1-one
CID 62614251
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylpropan-1-one
CID 112571405
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-phenylpropan-1-one
CID 82691756
3-(4-cyclohexylpiperazin-1-yl)-1-phenylpropan-1-one
CID 166604154
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide (CID 115926022) is 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide?
The InChIKey is UCSQMQVKDHFBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-16(20)12-13-6-9-18(10-7-13)11-8-15(19)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H2,17,20).
What are the key properties of 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide?
2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-oxo-3-phenylpropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 115926022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).