3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide

C22H29N3O4 — CID 110288135

IUPAC3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
SMILESCOCCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1
InChIInChI=1S/C22H29N3O4/c1-27-15-14-24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-22(26)17-4-9-20(28-2)21(16-17)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyKWVHOOZIQHJKQH-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.72
Rot. Bonds8

About 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide

3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 110288135) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
PubChem CID110288135
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide
SMILESCOCCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1
InChIInChI=1S/C22H29N3O4/c1-27-15-14-24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-22(26)17-4-9-20(28-2)21(16-17)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyKWVHOOZIQHJKQH-UHFFFAOYSA-N
XLogP2.72
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110288155
3,4-dimethoxy-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 2238784
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 17481283
3-chloro-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxybenzamide
CID 7340704
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 42315476
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 17388057
N-(3,4-dimethoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1363715
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 3810040
N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethoxybenzamide
CID 3750010
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide (CID 110288135) is 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide is COCCN1CCN(c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2)CC1.
What is the InChIKey of 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is KWVHOOZIQHJKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-15-14-24-10-12-25(13-11-24)19-7-5-18(6-8-19)23-22(26)17-4-9-20(28-2)21(16-17)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26).
What are the key properties of 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide?
3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 110288135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).