2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone

C22H27N3O — CID 155948017

IUPAC2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C22H27N3O/c26-22(25-15-13-24(14-16-25)20-11-12-23-17-20)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21,23H,11-17H2
InChIKeyMCEGEDZRDUILEY-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.32
Rot. Bonds4

About 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone

2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone (PubChem CID 155948017) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone
PubChem CID155948017
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCN(C2CCNC2)CC1
InChIInChI=1S/C22H27N3O/c26-22(25-15-13-24(14-16-25)20-11-12-23-17-20)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21,23H,11-17H2
InChIKeyMCEGEDZRDUILEY-UHFFFAOYSA-N
XLogP2.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,2-diphenylacetyl)-1,4-diazepan-1-yl]-2,2-diphenylethanone
CID 5069183
3-(N-methylanilino)-1-(4-pyrrolidin-3-ylpiperazin-1-yl)propan-1-one
CID 126813279
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
1-(4-cyclopentylpiperazin-1-yl)-2-hydroxy-2-phenylethanone
CID 111432279
N-(1-benzylpiperidin-4-yl)-4-pyrrolidin-3-ylpiperazine-1-carboxamide;dihydrochloride
CID 154904810
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
1-[4-(methylamino)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119562554
1-(3-hydroxypiperidin-1-yl)-2,2-diphenylethanone
CID 110868603
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
methyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 110818280
1-(4-ethylpiperazin-1-yl)-2,2-diphenylethanone
CID 2303179

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone (CID 155948017) is 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCN(C2CCNC2)CC1.
What is the InChIKey of 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is MCEGEDZRDUILEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-22(25-15-13-24(14-16-25)20-11-12-23-17-20)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20-21,23H,11-17H2.
What are the key properties of 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone?
2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 349.48 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(4-pyrrolidin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 155948017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).