cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone

C27H34FN3O — CID 46062658

IUPACcyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC(CN2CCN(c3ccc(F)cc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C27H34FN3O/c28-24-10-12-25(13-11-24)30-16-14-29(15-17-30)18-23-19-31(27(32)22-8-4-5-9-22)20-26(23)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23,26H,4-5,8-9,14-20H2
InChIKeyOXNOJVNGVJYKQR-UHFFFAOYSA-N
MW435.59 g/mol
LogP4.38
Rot. Bonds5

About cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone

cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone (PubChem CID 46062658) has the molecular formula C27H34FN3O and a molecular weight of 435.59 g/mol. Its IUPAC name is cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
PubChem CID46062658
Molecular FormulaC27H34FN3O
Molecular Weight435.59 g/mol
Exact Mass435.27
IUPAC Namecyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CC(CN2CCN(c3ccc(F)cc3)CC2)C(c2ccccc2)C1
InChIInChI=1S/C27H34FN3O/c28-24-10-12-25(13-11-24)30-16-14-29(15-17-30)18-23-19-31(27(32)22-8-4-5-9-22)20-26(23)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23,26H,4-5,8-9,14-20H2
InChIKeyOXNOJVNGVJYKQR-UHFFFAOYSA-N
XLogP4.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[3-(3-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 46062807
(3-fluorophenyl)-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
CID 42863660
[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 46062656
[(3R,4R)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 92991644
(4-fluorophenyl)-[3-(3-fluorophenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42863808
2-cyclopentyl-1-[(3S,4R)-3-(4-fluorophenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 92991702
2-cyclopentyl-1-[3-(4-fluorophenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 46062674
(4-fluorophenyl)-[3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42863864
1-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 42863671
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
(4-fluorophenyl)-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 42863664
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 62610058

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone (CID 46062658) is cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CC(CN2CCN(c3ccc(F)cc3)CC2)C(c2ccccc2)C1.
What is the InChIKey of cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone?
The InChIKey is OXNOJVNGVJYKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O/c28-24-10-12-25(13-11-24)30-16-14-29(15-17-30)18-23-19-31(27(32)22-8-4-5-9-22)20-26(23)21-6-2-1-3-7-21/h1-3,6-7,10-13,22-23,26H,4-5,8-9,14-20H2.
What are the key properties of cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone?
cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone has a molecular weight of 435.59 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 46062658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).