[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone

C19H23N3O — CID 2598413

IUPAC[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-20(2)18-10-6-7-16(15-18)19(23)22-13-11-21(12-14-22)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3
InChIKeyWLKMKFOWWDJDGJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.71
Rot. Bonds3

About [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone

[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2598413) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID2598413
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN(C)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C19H23N3O/c1-20(2)18-10-6-7-16(15-18)19(23)22-13-11-21(12-14-22)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3
InChIKeyWLKMKFOWWDJDGJ-UHFFFAOYSA-N
XLogP2.71
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
1-[4-[3-(dimethylamino)benzoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807298
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
[3-(dimethylamino)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]methanone
CID 22581254
[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 110365155
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[2-(N-methylanilino)pyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109261118
[3-(dimethylamino)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 6213753
1-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110741465
5-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-1,3,6-trimethylpyrimidine-2,4-dione
CID 46324246
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone (CID 2598413) is [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone is CN(C)c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WLKMKFOWWDJDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-20(2)18-10-6-7-16(15-18)19(23)22-13-11-21(12-14-22)17-8-4-3-5-9-17/h3-10,15H,11-14H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone?
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2598413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).