(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

C30H34N2O — CID 70200360

IUPAC(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC(CN3CCC(c4ccccc4)CC3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C30H34N2O/c1-23-12-14-27(15-13-23)30(33)32-21-28(29(22-32)26-10-6-3-7-11-26)20-31-18-16-25(17-19-31)24-8-4-2-5-9-24/h2-15,25,28-29H,16-22H2,1H3
InChIKeyDVHULDDCWVBRPK-UHFFFAOYSA-N
MW438.62 g/mol
LogP5.73
Rot. Bonds5

About (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone

(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 70200360) has the molecular formula C30H34N2O and a molecular weight of 438.62 g/mol. Its IUPAC name is (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID70200360
Molecular FormulaC30H34N2O
Molecular Weight438.62 g/mol
Exact Mass438.27
IUPAC Name(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CC(CN3CCC(c4ccccc4)CC3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C30H34N2O/c1-23-12-14-27(15-13-23)30(33)32-21-28(29(22-32)26-10-6-3-7-11-26)20-31-18-16-25(17-19-31)24-8-4-2-5-9-24/h2-15,25,28-29H,16-22H2,1H3
InChIKeyDVHULDDCWVBRPK-UHFFFAOYSA-N
XLogP5.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.62
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 46062656
[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone
CID 22116088
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 70272512
phenyl-[3-phenyl-4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 57239149
(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70203335
(3,4-dichlorophenyl)-[3-(3,4-difluorophenyl)-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70271177
[(3S,4R)-3-[[cyclohexyl(methyl)amino]methyl]-4-phenylpyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 92991633
[(3R,4R)-3-[(4-benzylpiperidin-1-yl)methyl]-4-(4-fluorophenyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92991705
1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70204070
(2,3-dimethylphenyl)-[(3R)-3-[(4-phenylpiperidin-1-yl)methyl]-4-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 147773860

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 70200360) is (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1ccc(C(=O)N2CC(CN3CCC(c4ccccc4)CC3)C(c3ccccc3)C2)cc1.
What is the InChIKey of (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is DVHULDDCWVBRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O/c1-23-12-14-27(15-13-23)30(33)32-21-28(29(22-32)26-10-6-3-7-11-26)20-31-18-16-25(17-19-31)24-8-4-2-5-9-24/h2-15,25,28-29H,16-22H2,1H3.
What are the key properties of (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 438.62 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70200360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).