3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one

C21H25NO — CID 82051046

IUPAC3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
SMILESCC1CCCN(CCC(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO/c1-17-6-5-14-22(16-17)15-13-21(23)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyNBKMSXYJHAOBHS-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.66
Rot. Bonds5

About 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one

3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one (PubChem CID 82051046) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
PubChem CID82051046
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
SMILESCC1CCCN(CCC(=O)c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H25NO/c1-17-6-5-14-22(16-17)15-13-21(23)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3
InChIKeyNBKMSXYJHAOBHS-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
1-(4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 2984720
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050418
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
3-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30099813
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
2-[3-(3-methylpiperidin-1-yl)propanoylamino]-2-phenylacetic acid
CID 53215856
1-(3-ethyl-4-propoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82054261

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one?
The IUPAC name of 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one (CID 82051046) is 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one is CC1CCCN(CCC(=O)c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one?
The InChIKey is NBKMSXYJHAOBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-17-6-5-14-22(16-17)15-13-21(23)20-11-9-19(10-12-20)18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one?
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one has a molecular weight of 307.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one is sourced from PubChem (CID 82051046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).