[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone

C22H29N3O — CID 113078827

IUPAC[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-4-23(5-2)20-9-11-21(12-10-20)24-13-15-25(16-14-24)22(26)19-8-6-7-18(3)17-19/h6-12,17H,4-5,13-16H2,1-3H3
InChIKeyQXQYQYUEVNLWOH-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.80
Rot. Bonds5

About [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone

[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone (PubChem CID 113078827) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
PubChem CID113078827
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H29N3O/c1-4-23(5-2)20-9-11-21(12-10-20)24-13-15-25(16-14-24)22(26)19-8-6-7-18(3)17-19/h6-12,17H,4-5,13-16H2,1-3H3
InChIKeyQXQYQYUEVNLWOH-UHFFFAOYSA-N
XLogP3.80
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
[4-(3,5-dimethylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113075595
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
(3-methylphenyl)-[4-(4-phenoxyphenyl)piperazin-1-yl]methanone
CID 113079200
[4-(4-bromo-3-methylphenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079565
(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078848
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3-methylphenyl)piperazin-1-yl]-[3-(morpholine-4-carbonyl)phenyl]methanone
CID 109052867
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775

Frequently Asked Questions

What is the IUPAC name of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone (CID 113078827) is [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone is CCN(CC)c1ccc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc1.
What is the InChIKey of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone?
The InChIKey is QXQYQYUEVNLWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-4-23(5-2)20-9-11-21(12-10-20)24-13-15-25(16-14-24)22(26)19-8-6-7-18(3)17-19/h6-12,17H,4-5,13-16H2,1-3H3.
What are the key properties of [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone?
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone has a molecular weight of 351.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 113078827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).