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

C22H29N3O2 — CID 9159073

IUPAC[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-23(5-2)19-8-6-18(7-9-19)22(26)25-16-14-24(15-17-25)20-10-12-21(27-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3
InChIKeySGILGNDMPYURJJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.50
Rot. Bonds6

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

[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 9159073) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID9159073
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-4-23(5-2)19-8-6-18(7-9-19)22(26)25-16-14-24(15-17-25)20-10-12-21(27-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3
InChIKeySGILGNDMPYURJJ-UHFFFAOYSA-N
XLogP3.50
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
4-[4-(diethylamino)phenyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108225
[4-(methoxymethyl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6498957
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(4-methoxyphenyl)-[4-(4-propan-2-yloxyphenyl)piperazin-1-yl]methanone
CID 113077716
1-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9159086
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113078827
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(2-methylprop-2-enoxy)phenyl]methanone
CID 40696784
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 806461
N,N-diethyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 2197299
[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 113079610

Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 9159073) is [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CCN(CC)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is SGILGNDMPYURJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-23(5-2)19-8-6-18(7-9-19)22(26)25-16-14-24(15-17-25)20-10-12-21(27-3)13-11-20/h6-13H,4-5,14-17H2,1-3H3.
What are the key properties of [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9159073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).