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

C20H25N3O2 — CID 38574396

IUPAC[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-21(2)17-9-7-16(8-10-17)20(24)23-13-11-22(12-14-23)18-5-4-6-19(15-18)25-3/h4-10,15H,11-14H2,1-3H3
InChIKeyVRGYMGFEGKIOFV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds4

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

[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 38574396) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID38574396
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-21(2)17-9-7-16(8-10-17)20(24)23-13-11-22(12-14-23)18-5-4-6-19(15-18)25-3/h4-10,15H,11-14H2,1-3H3
InChIKeyVRGYMGFEGKIOFV-UHFFFAOYSA-N
XLogP2.72
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 38573728
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 113078833
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413
(4-amino-3-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574291
2-[2-methoxy-4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenoxy]acetamide
CID 9089096

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 38574396) is [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccc(N(C)C)cc3)CC2)c1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VRGYMGFEGKIOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21(2)17-9-7-16(8-10-17)20(24)23-13-11-22(12-14-23)18-5-4-6-19(15-18)25-3/h4-10,15H,11-14H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 38574396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).