3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

C21H25N3O4 — CID 94646312

IUPAC3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-23-10-12-24(13-11-23)21(26)15-4-7-17(8-5-15)22-20(25)16-6-9-18(27-2)19(14-16)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyJDUBAGURYUUUGC-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.34
Rot. Bonds5

About 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide

3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 94646312) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID94646312
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-23-10-12-24(13-11-23)21(26)15-4-7-17(8-5-15)22-20(25)16-6-9-18(27-2)19(14-16)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,25)
InChIKeyJDUBAGURYUUUGC-UHFFFAOYSA-N
XLogP2.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
7-(3,4-dimethoxyphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264955
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
(E)-3-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 108763760
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 94646312) is 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is JDUBAGURYUUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-23-10-12-24(13-11-23)21(26)15-4-7-17(8-5-15)22-20(25)16-6-9-18(27-2)19(14-16)28-3/h4-9,14H,10-13H2,1-3H3,(H,22,25).
What are the key properties of 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide?
3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 94646312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).