N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide

C21H25N3O4 — CID 119579861

IUPACN-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14-13-24(10-9-22-14)21(26)16-11-18(27-2)19(28-3)12-17(16)23-20(25)15-7-5-4-6-8-15/h4-8,11-12,14,22H,9-10,13H2,1-3H3,(H,23,25)
InChIKeyIHOLZTGZQSWNEY-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.39
Rot. Bonds5

About N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide

N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 119579861) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID119579861
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCNC(C)C2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14-13-24(10-9-22-14)21(26)16-11-18(27-2)19(28-3)12-17(16)23-20(25)15-7-5-4-6-8-15/h4-8,11-12,14,22H,9-10,13H2,1-3H3,(H,23,25)
InChIKeyIHOLZTGZQSWNEY-UHFFFAOYSA-N
XLogP2.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119403063
N-[2-(1,4-diazepane-1-carbonyl)-4,5-dimethoxyphenyl]benzamide
CID 119417744
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
N-[2-methyl-5-(3-methylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119579469
4-chloro-N-[2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119576131
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147
(2-methoxy-5-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426724
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
(2,6-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428792
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
methyl 3-[(3S)-3-methylpiperazine-1-carbonyl]benzoate
CID 176515178
(4-chloro-2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580362

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide (CID 119579861) is N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCNC(C)C2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is IHOLZTGZQSWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-13-24(10-9-22-14)21(26)16-11-18(27-2)19(28-3)12-17(16)23-20(25)15-7-5-4-6-8-15/h4-8,11-12,14,22H,9-10,13H2,1-3H3,(H,23,25).
What are the key properties of N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide?
N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 119579861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).