3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C22H27N3O4 — CID 18111092

IUPAC3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-16-6-4-5-7-20(16)24-8-10-25(11-9-24)21(26)15-23-22(27)17-12-18(28-2)14-19(13-17)29-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,27)
InChIKeyQKRZJIBGRZUJBW-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.09
Rot. Bonds6

About 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 18111092) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID18111092
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C22H27N3O4/c1-16-6-4-5-7-20(16)24-8-10-25(11-9-24)21(26)15-23-22(27)17-12-18(28-2)14-19(13-17)29-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,27)
InChIKeyQKRZJIBGRZUJBW-UHFFFAOYSA-N
XLogP2.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898
N-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 9082532
N-[2-(azepan-1-yl)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26500774
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
3,5-dimethoxy-N-[2-oxo-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethyl]benzamide
CID 2999114
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
ethyl 2-[[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097511
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
2-(4-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 8910906
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
3,4-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 27665451

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 18111092) is 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(c3ccccc3C)CC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is QKRZJIBGRZUJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-6-4-5-7-20(16)24-8-10-25(11-9-24)21(26)15-23-22(27)17-12-18(28-2)14-19(13-17)29-3/h4-7,12-14H,8-11,15H2,1-3H3,(H,23,27).
What are the key properties of 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 18111092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).