3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide

C16H22N2O3 — CID 62898121

IUPAC3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)9-14(8-11)21-6-5-16(20)18-13-3-4-15(19)17-10-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIPPPUFYLZXZBCA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.47
Rot. Bonds5

About 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide

3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 62898121) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID62898121
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC2CCC(=O)NC2)c1
InChIInChI=1S/C16H22N2O3/c1-11-7-12(2)9-14(8-11)21-6-5-16(20)18-13-3-4-15(19)17-10-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyIPPPUFYLZXZBCA-UHFFFAOYSA-N
XLogP1.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62490445
4-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)butanamide
CID 62896622
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
3-(3,4-dimethylphenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62490585
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
3-(4-methoxyphenyl)-N-(6-oxopiperidin-3-yl)propanamide
CID 62490109
2-(4-bromophenoxy)-N-(6-oxopiperidin-3-yl)acetamide
CID 55210132
3-(3,4-difluorophenyl)sulfanyl-N-(6-oxopiperidin-3-yl)propanamide
CID 62896998
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
3-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
CID 107723835
N-[2-(aminomethyl)cyclopentyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119603780
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide (CID 62898121) is 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide is Cc1cc(C)cc(OCCC(=O)NC2CCC(=O)NC2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is IPPPUFYLZXZBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-7-12(2)9-14(8-11)21-6-5-16(20)18-13-3-4-15(19)17-10-13/h7-9,13H,3-6,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide?
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 62898121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).