1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one

C16H23NO4 — CID 116572273

IUPAC1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one
SMILESCOc1ccc(C(=O)CCOC2CCNCC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-19-15-4-3-12(11-16(15)20-2)14(18)7-10-21-13-5-8-17-9-6-13/h3-4,11,13,17H,5-10H2,1-2H3
InChIKeyVLGGTZDNYVBXCH-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.05
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one

1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one (PubChem CID 116572273) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one
PubChem CID116572273
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one
SMILESCOc1ccc(C(=O)CCOC2CCNCC2)cc1OC
InChIInChI=1S/C16H23NO4/c1-19-15-4-3-12(11-16(15)20-2)14(18)7-10-21-13-5-8-17-9-6-13/h3-4,11,13,17H,5-10H2,1-2H3
InChIKeyVLGGTZDNYVBXCH-UHFFFAOYSA-N
XLogP2.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-piperidin-4-yloxyethanone
CID 116571152
1-phenyl-3-piperidin-4-yloxypropan-1-one
CID 116572261
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] piperidine-4-carboxylate
CID 174964194
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide
CID 142338278
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
1-cyclopropyl-3-(3,4-dimethoxyphenyl)propane-1,3-dione
CID 55204524
1-(2,4-dichlorophenyl)-3-piperidin-4-yloxypropan-1-one
CID 114281145
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one (CID 116572273) is 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one is COc1ccc(C(=O)CCOC2CCNCC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one?
The InChIKey is VLGGTZDNYVBXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-15-4-3-12(11-16(15)20-2)14(18)7-10-21-13-5-8-17-9-6-13/h3-4,11,13,17H,5-10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one?
1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one has a molecular weight of 293.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-piperidin-4-yloxypropan-1-one is sourced from PubChem (CID 116572273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).