[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone

C30H34N2O2 — CID 22116088

IUPAC[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone
SMILESCOc1ccccc1C1CCN(CC2CN(C(=O)c3ccccc3)CC2c2ccccc2)CC1
InChIInChI=1S/C30H34N2O2/c1-34-29-15-9-8-14-27(29)24-16-18-31(19-17-24)20-26-21-32(30(33)25-12-6-3-7-13-25)22-28(26)23-10-4-2-5-11-23/h2-15,24,26,28H,16-22H2,1H3
InChIKeyAVVSIXREKFHQPG-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.43
Rot. Bonds6

About [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone

[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone (PubChem CID 22116088) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone
PubChem CID22116088
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC Name[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone
SMILESCOc1ccccc1C1CCN(CC2CN(C(=O)c3ccccc3)CC2c2ccccc2)CC1
InChIInChI=1S/C30H34N2O2/c1-34-29-15-9-8-14-27(29)24-16-18-31(19-17-24)20-26-21-32(30(33)25-12-6-3-7-13-25)22-28(26)23-10-4-2-5-11-23/h2-15,24,26,28H,16-22H2,1H3
InChIKeyAVVSIXREKFHQPG-UHFFFAOYSA-N
XLogP5.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
phenyl-[3-phenyl-4-[[4-(2-phenylethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 57239149
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42862684
[(3R,4R)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 92991644
[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(3-methoxyphenyl)pyrrolidin-1-yl]-phenylmethanone
CID 42863852
methyl (1R,5S)-6-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 56884534
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
[(3R,4R)-3-[(4-benzylpiperidin-1-yl)methyl]-4-(4-fluorophenyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 92991705
[(3R,4R)-3-(3-fluorophenyl)-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 92992145
(4-fluorophenyl)-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42863864
methyl 3-oxo-3-[3-phenyl-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propanoate
CID 42863641

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone (CID 22116088) is [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone is COc1ccccc1C1CCN(CC2CN(C(=O)c3ccccc3)CC2c2ccccc2)CC1.
What is the InChIKey of [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone?
The InChIKey is AVVSIXREKFHQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c1-34-29-15-9-8-14-27(29)24-16-18-31(19-17-24)20-26-21-32(30(33)25-12-6-3-7-13-25)22-28(26)23-10-4-2-5-11-23/h2-15,24,26,28H,16-22H2,1H3.
What are the key properties of [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone?
[3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone has a molecular weight of 454.61 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methoxyphenyl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 22116088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).