3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

C26H32N2O2 — CID 25452719

IUPAC3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1
InChIInChI=1S/C26H32N2O2/c29-25(27-16-4-5-17-27)15-12-22-7-6-18-28(20-22)26(30)19-21-10-13-24(14-11-21)23-8-2-1-3-9-23/h1-3,8-11,13-14,22H,4-7,12,15-20H2/t22-/m1/s1
InChIKeyBPVLPJKHTHHUMC-JOCHJYFZSA-N
MW404.55 g/mol
LogP4.54
Rot. Bonds6

About 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 25452719) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID25452719
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1
InChIInChI=1S/C26H32N2O2/c29-25(27-16-4-5-17-27)15-12-22-7-6-18-28(20-22)26(30)19-21-10-13-24(14-11-21)23-8-2-1-3-9-23/h1-3,8-11,13-14,22H,4-7,12,15-20H2/t22-/m1/s1
InChIKeyBPVLPJKHTHHUMC-JOCHJYFZSA-N
XLogP4.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
1-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylethanone
CID 3296338
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051
1-[3-(aminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119465087
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
1-[(4S)-4-(dimethylamino)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 95724805
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63765937
1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 90504984
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 62372342
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
3-[(3R)-1-[2-(3,4-difluorophenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124701583

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 25452719) is 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CC[C@H]1CCCN(C(=O)Cc2ccc(-c3ccccc3)cc2)C1)N1CCCC1.
What is the InChIKey of 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BPVLPJKHTHHUMC-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H32N2O2/c29-25(27-16-4-5-17-27)15-12-22-7-6-18-28(20-22)26(30)19-21-10-13-24(14-11-21)23-8-2-1-3-9-23/h1-3,8-11,13-14,22H,4-7,12,15-20H2/t22-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 404.55 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-(4-phenylphenyl)acetyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 25452719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).