1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone

C16H23NO3 — CID 4732677

IUPAC1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-12-19-14-6-8-15(9-7-14)20-13-16(18)17-10-4-3-5-11-17/h6-9H,2-5,10-13H2,1H3
InChIKeyMEIUHVWDDQCXOD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.87
Rot. Bonds6

About 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone

1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone (PubChem CID 4732677) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
PubChem CID4732677
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
SMILESCCCOc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H23NO3/c1-2-12-19-14-6-8-15(9-7-14)20-13-16(18)17-10-4-3-5-11-17/h6-9H,2-5,10-13H2,1H3
InChIKeyMEIUHVWDDQCXOD-UHFFFAOYSA-N
XLogP2.87
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,4-diazepan-1-yl)-2-(4-propoxyphenoxy)ethanone
CID 112791371
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone (CID 4732677) is 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone is CCCOc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone?
The InChIKey is MEIUHVWDDQCXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-12-19-14-6-8-15(9-7-14)20-13-16(18)17-10-4-3-5-11-17/h6-9H,2-5,10-13H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone?
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone has a molecular weight of 277.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone is sourced from PubChem (CID 4732677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).