3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one

C18H25NO3 — CID 112536925

IUPAC3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCN(C(=O)CCc2cccc(OC)c2)CC1
InChIInChI=1S/C18H25NO3/c1-3-17(20)15-9-11-19(12-10-15)18(21)8-7-14-5-4-6-16(13-14)22-2/h4-6,13,15H,3,7-12H2,1-2H3
InChIKeyNDSJLEFCNYICAO-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.85
Rot. Bonds6

About 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one

3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one (PubChem CID 112536925) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
PubChem CID112536925
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCN(C(=O)CCc2cccc(OC)c2)CC1
InChIInChI=1S/C18H25NO3/c1-3-17(20)15-9-11-19(12-10-15)18(21)8-7-14-5-4-6-16(13-14)22-2/h4-6,13,15H,3,7-12H2,1-2H3
InChIKeyNDSJLEFCNYICAO-UHFFFAOYSA-N
XLogP2.85
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
1-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110721211
1-[(3R)-3-aminopyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 119412755
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110822113
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 79410444
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one (CID 112536925) is 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one is CCC(=O)C1CCN(C(=O)CCc2cccc(OC)c2)CC1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
The InChIKey is NDSJLEFCNYICAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-17(20)15-9-11-19(12-10-15)18(21)8-7-14-5-4-6-16(13-14)22-2/h4-6,13,15H,3,7-12H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one?
3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one has a molecular weight of 303.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 112536925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).