2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

C20H31N3O3 — CID 87017788

IUPAC2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)NCCCOC(C)c2ccccc2)C1
InChIInChI=1S/C20H31N3O3/c1-16(18-8-4-3-5-9-18)26-13-7-11-21-20(25)15-23-12-6-10-19(14-23)22-17(2)24/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyJJIOHVDTIXEYDW-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.87
Rot. Bonds9

About 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide

2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 87017788) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID87017788
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)NCCCOC(C)c2ccccc2)C1
InChIInChI=1S/C20H31N3O3/c1-16(18-8-4-3-5-9-18)26-13-7-11-21-20(25)15-23-12-6-10-19(14-23)22-17(2)24/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyJJIOHVDTIXEYDW-UHFFFAOYSA-N
XLogP1.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
2-(3-acetamidopiperidin-1-yl)-N-[3-(N-methylanilino)propyl]acetamide
CID 60503613
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86873846
methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
CID 87012839
2-(3-acetamidopiperidin-1-yl)-N-pentylacetamide
CID 87014513
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
(1S,6R)-9-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 95908517
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 134048726
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
1-cyclohexyl-3-[3-[(1S)-1-phenylethoxy]propyl]thiourea
CID 8559793
2-(3-acetamidopiperidin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 75461490

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide (CID 87017788) is 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is CC(=O)NC1CCCN(CC(=O)NCCCOC(C)c2ccccc2)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is JJIOHVDTIXEYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-16(18-8-4-3-5-9-18)26-13-7-11-21-20(25)15-23-12-6-10-19(14-23)22-17(2)24/h3-5,8-9,16,19H,6-7,10-15H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide?
2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 87017788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).