[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone

C22H27N3O — CID 42680025

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CNCC2c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-17-7-5-6-10-21(17)24-11-13-25(14-12-24)22(26)20-16-23-15-19(20)18-8-3-2-4-9-18/h2-10,19-20,23H,11-16H2,1H3
InChIKeyRAOIVIBFXYELGB-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.65
Rot. Bonds3

About [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone (PubChem CID 42680025) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
PubChem CID42680025
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CNCC2c2ccccc2)CC1
InChIInChI=1S/C22H27N3O/c1-17-7-5-6-10-21(17)24-11-13-25(14-12-24)22(26)20-16-23-15-19(20)18-8-3-2-4-9-18/h2-10,19-20,23H,11-16H2,1H3
InChIKeyRAOIVIBFXYELGB-UHFFFAOYSA-N
XLogP2.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42825253
[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 63716005
(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone
CID 42825204
[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
CID 170182493
1-(2,5-dimethylphenyl)-4-[1-[(3R,4R)-4-phenylpyrrolidin-3-yl]ethenyl]piperazine
CID 59666150
[1-(4-methylbenzoyl)-4-phenylpyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42825811
[4-(4-methylphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42656377
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3S,4R)-4-(2-methylphenyl)piperidin-3-yl]methanone
CID 68730574
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
(2-aminocyclopentyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831874
(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 66238290
[1-(4-methoxyphenyl)sulfonyl-4-phenylpyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42826014

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone (CID 42680025) is [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone is Cc1ccccc1N1CCN(C(=O)C2CNCC2c2ccccc2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
The InChIKey is RAOIVIBFXYELGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-17-7-5-6-10-21(17)24-11-13-25(14-12-24)22(26)20-16-23-15-19(20)18-8-3-2-4-9-18/h2-10,19-20,23H,11-16H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone has a molecular weight of 349.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 42680025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).