N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride

C20H24ClN3O4 — CID 119403063

IUPACN-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCNCC2)cc1OC.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-17-12-15(20(25)23-10-8-21-9-11-23)16(13-18(17)27-2)22-19(24)14-6-4-3-5-7-14;/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24);1H
InChIKeyXYGGCNXNTFQOCG-UHFFFAOYSA-N
MW405.88 g/mol
LogP2.42
Rot. Bonds5

About N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride

N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride (PubChem CID 119403063) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
PubChem CID119403063
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC NameN-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
SMILESCOc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCNCC2)cc1OC.Cl
InChIInChI=1S/C20H23N3O4.ClH/c1-26-17-12-15(20(25)23-10-8-21-9-11-23)16(13-18(17)27-2)22-19(24)14-6-4-3-5-7-14;/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24);1H
InChIKeyXYGGCNXNTFQOCG-UHFFFAOYSA-N
XLogP2.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,4-diazepane-1-carbonyl)-4,5-dimethoxyphenyl]benzamide
CID 119417744
N-[4,5-dimethoxy-2-(3-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119579861
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55761058
2-benzamido-4-hydroxy-5-methoxybenzoic acid
CID 71325252
4-benzamido-5-chloro-2-methoxybenzoic acid
CID 43405427
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The IUPAC name of N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride (CID 119403063) is N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride is COc1cc(NC(=O)c2ccccc2)c(C(=O)N2CCNCC2)cc1OC.Cl.
What is the InChIKey of N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
The InChIKey is XYGGCNXNTFQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4.ClH/c1-26-17-12-15(20(25)23-10-8-21-9-11-23)16(13-18(17)27-2)22-19(24)14-6-4-3-5-7-14;/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride?
N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride has a molecular weight of 405.88 g/mol, XLogP of 2.42, 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-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 119403063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).