3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide

C22H29N3O3 — CID 10572037

IUPAC3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-27-20-8-5-7-18(16-20)22(26)23-10-11-24-12-14-25(15-13-24)17-19-6-3-4-9-21(19)28-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyABYRPLMGIMQPHI-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.25
Rot. Bonds8

About 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide

3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 10572037) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
PubChem CID10572037
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCN2CCN(Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O3/c1-27-20-8-5-7-18(16-20)22(26)23-10-11-24-12-14-25(15-13-24)17-19-6-3-4-9-21(19)28-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)
InChIKeyABYRPLMGIMQPHI-UHFFFAOYSA-N
XLogP2.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
CID 82163321
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
N-[2-[[C-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111303059
3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
CID 71449110
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
N-[2-[4-[(2-bromo-5-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-4-fluorobenzamide;hydrochloride
CID 139726511
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide (CID 10572037) is 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide is COc1cccc(C(=O)NCCN2CCN(Cc3ccccc3OC)CC2)c1.
What is the InChIKey of 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is ABYRPLMGIMQPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-27-20-8-5-7-18(16-20)22(26)23-10-11-24-12-14-25(15-13-24)17-19-6-3-4-9-21(19)28-2/h3-9,16H,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide?
3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 10572037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).