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

C31H33N3O — CID 70204070

IUPAC1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C31H33N3O/c35-31(28-12-7-13-30-27(28)14-17-32-30)34-21-26(29(22-34)25-10-5-2-6-11-25)20-33-18-15-24(16-19-33)23-8-3-1-4-9-23/h1-14,17,24,26,29,32H,15-16,18-22H2
InChIKeyOUGIEDKFOSZMGV-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.90
Rot. Bonds5

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

1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 70204070) has the molecular formula C31H33N3O and a molecular weight of 463.63 g/mol. Its IUPAC name is 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID70204070
Molecular FormulaC31H33N3O
Molecular Weight463.63 g/mol
Exact Mass463.26
IUPAC Name1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C31H33N3O/c35-31(28-12-7-13-30-27(28)14-17-32-30)34-21-26(29(22-34)25-10-5-2-6-11-25)20-33-18-15-24(16-19-33)23-8-3-1-4-9-23/h1-14,17,24,26,29,32H,15-16,18-22H2
InChIKeyOUGIEDKFOSZMGV-UHFFFAOYSA-N
XLogP5.90
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70203335
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 70272512
naphthalen-1-yl-[(3R,4R)-3-[(4-phenylpiperidin-1-yl)methyl]-4-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 20694266
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
(4-methylphenyl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200360
(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 92991583
furan-2-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70200803
[3-[(4-benzylpiperazin-1-yl)methyl]-4-phenylpyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 70200614
(2,3-dimethylphenyl)-[(3R)-3-[(4-phenylpiperidin-1-yl)methyl]-4-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 147773860
[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 110203307
[(4S)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-methylpyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 59923154
(2,3-difluorophenyl)-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-4-(furan-3-yl)pyrrolidin-1-yl]methanone
CID 18364861

Frequently Asked Questions

What is the IUPAC name of 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 70204070) is 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1cccc2[nH]ccc12)N1CC(CN2CCC(c3ccccc3)CC2)C(c2ccccc2)C1.
What is the InChIKey of 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is OUGIEDKFOSZMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O/c35-31(28-12-7-13-30-27(28)14-17-32-30)34-21-26(29(22-34)25-10-5-2-6-11-25)20-33-18-15-24(16-19-33)23-8-3-1-4-9-23/h1-14,17,24,26,29,32H,15-16,18-22H2.
What are the key properties of 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone?
1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 463.63 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70204070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).