1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one

C15H19NO3 — CID 82044939

IUPAC1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one
SMILESCc1cccc(OC(C)C(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO3/c1-11-4-3-5-14(10-11)19-12(2)15(18)16-8-6-13(17)7-9-16/h3-5,10,12H,6-9H2,1-2H3
InChIKeyDXKZMHYZEVHMND-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.95
Rot. Bonds3

About 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one

1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one (PubChem CID 82044939) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one
PubChem CID82044939
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one
SMILESCc1cccc(OC(C)C(=O)N2CCC(=O)CC2)c1
InChIInChI=1S/C15H19NO3/c1-11-4-3-5-14(10-11)19-12(2)15(18)16-8-6-13(17)7-9-16/h3-5,10,12H,6-9H2,1-2H3
InChIKeyDXKZMHYZEVHMND-UHFFFAOYSA-N
XLogP1.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]acetic acid
CID 119136172
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 119644184
2-[4-[2-(3-methylphenoxy)propanoyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115506
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 18105488
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(3-methylphenoxy)propan-1-one
CID 134063478
2-[methyl-[(4R)-1-[(2R)-2-(3-methylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129399199
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
2-(3-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 78767912
2-[acetyl-[(4R)-1-[(2S)-2-(3-methylphenoxy)propanoyl]azepan-4-yl]amino]acetic acid
CID 129468483
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one?
The IUPAC name of 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one (CID 82044939) is 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one?
The canonical SMILES for 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one is Cc1cccc(OC(C)C(=O)N2CCC(=O)CC2)c1.
What is the InChIKey of 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one?
The InChIKey is DXKZMHYZEVHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-4-3-5-14(10-11)19-12(2)15(18)16-8-6-13(17)7-9-16/h3-5,10,12H,6-9H2,1-2H3.
What are the key properties of 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one?
1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one is sourced from PubChem (CID 82044939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).