1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one

C15H19NO3 — CID 24708517

IUPAC1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
SMILESCc1cccc(OCCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO3/c1-12-3-2-4-14(11-12)19-10-7-15(18)16-8-5-13(17)6-9-16/h2-4,11H,5-10H2,1H3
InChIKeyXHELVLRTAMZZSR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.96
Rot. Bonds4

About 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one

1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one (PubChem CID 24708517) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
PubChem CID24708517
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
SMILESCc1cccc(OCCC(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO3/c1-12-3-2-4-14(11-12)19-10-7-15(18)16-8-5-13(17)6-9-16/h2-4,11H,5-10H2,1H3
InChIKeyXHELVLRTAMZZSR-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenoxy)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119402035
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
1-[3-(3-chlorophenoxy)propanoyl]piperidin-4-one
CID 39381768
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
1-[4-(3-methylphenoxy)butanoyl]-1,4-diazepan-5-one
CID 62046956
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
1-(4-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-(3-methylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 65418099
1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110818367

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one?
The IUPAC name of 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one (CID 24708517) is 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one?
The canonical SMILES for 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one is Cc1cccc(OCCC(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one?
The InChIKey is XHELVLRTAMZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12-3-2-4-14(11-12)19-10-7-15(18)16-8-5-13(17)6-9-16/h2-4,11H,5-10H2,1H3.
What are the key properties of 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one?
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one is sourced from PubChem (CID 24708517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).