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

C15H19NO3 — CID 39361353

IUPAC1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one
SMILESCc1ccccc1OCCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H19NO3/c1-12-4-2-3-5-14(12)19-11-8-15(18)16-9-6-13(17)7-10-16/h2-5H,6-11H2,1H3
InChIKeyVCMUWTSLWPWZDL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.96
Rot. Bonds4

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

1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one (PubChem CID 39361353) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one
PubChem CID39361353
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one
SMILESCc1ccccc1OCCC(=O)N1CCC(=O)CC1
InChIInChI=1S/C15H19NO3/c1-12-4-2-3-5-14(12)19-11-8-15(18)16-9-6-13(17)7-10-16/h2-5H,6-11H2,1H3
InChIKeyVCMUWTSLWPWZDL-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

4-[4-[3-(2-methylphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
CID 4739974
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
ethyl 4-[4-(2-methylphenoxy)butanoyl]piperazine-1-carboxylate
CID 108569168
3-(2-methylphenoxy)-1-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]propan-1-one
CID 4795383
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 9318967
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 9496035
4-(2-methylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 127115943
4-[3-(2,3-dimethylphenoxy)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 86983544
4-(2-methylphenoxy)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]butan-1-one
CID 108569182
1-(4-methylazepan-1-yl)-4-(2-methylphenoxy)butan-1-one
CID 60599847
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one?
The IUPAC name of 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one (CID 39361353) is 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one.
What is the SMILES notation for 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one?
The canonical SMILES for 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one is Cc1ccccc1OCCC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one?
The InChIKey is VCMUWTSLWPWZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-12-4-2-3-5-14(12)19-11-8-15(18)16-9-6-13(17)7-10-16/h2-5H,6-11H2,1H3.
What are the key properties of 1-[3-(2-methylphenoxy)propanoyl]piperidin-4-one?
1-[3-(2-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-(2-methylphenoxy)propanoyl]piperidin-4-one is sourced from PubChem (CID 39361353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).