2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide

C16H22N2O2 — CID 62656271

IUPAC2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=CC1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-13-15-7-10-18(11-8-15)12-16(20)17-9-6-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,17,20)
InChIKeyDIMPMPBRHUZJAS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.26
Rot. Bonds6

About 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide

2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide (PubChem CID 62656271) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
PubChem CID62656271
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
SMILESO=CC1CCN(CC(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O2/c19-13-15-7-10-18(11-8-15)12-16(20)17-9-6-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,17,20)
InChIKeyDIMPMPBRHUZJAS-UHFFFAOYSA-N
XLogP1.26
TPSA49.41 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formylpiperidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 62660631
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230
1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidine-4-carboxylic acid
CID 119908236
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2-phenylethyl)acetamide
CID 81451615
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 22195654
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 30653596
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide (CID 62656271) is 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide is O=CC1CCN(CC(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is DIMPMPBRHUZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-13-15-7-10-18(11-8-15)12-16(20)17-9-6-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,17,20).
What are the key properties of 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide?
2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 274.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperidin-1-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 62656271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).