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

C20H28Cl2N4O2 — CID 71449110

IUPAC3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
SMILESCOc1cccc(C(=O)NCCN2CCN(c3cc(C)ccn3)CC2)c1.Cl.Cl
InChIInChI=1S/C20H26N4O2.2ClH/c1-16-6-7-21-19(14-16)24-12-10-23(11-13-24)9-8-22-20(25)17-4-3-5-18(15-17)26-2;;/h3-7,14-15H,8-13H2,1-2H3,(H,22,25);2*1H
InChIKeyCRCRPVGVFIWNEN-UHFFFAOYSA-N
MW427.38 g/mol
LogP2.79
Rot. Bonds6

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

3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride (PubChem CID 71449110) has the molecular formula C20H28Cl2N4O2 and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
PubChem CID71449110
Molecular FormulaC20H28Cl2N4O2
Molecular Weight427.38 g/mol
Exact Mass426.16
IUPAC Name3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
SMILESCOc1cccc(C(=O)NCCN2CCN(c3cc(C)ccn3)CC2)c1.Cl.Cl
InChIInChI=1S/C20H26N4O2.2ClH/c1-16-6-7-21-19(14-16)24-12-10-23(11-13-24)9-8-22-20(25)17-4-3-5-18(15-17)26-2;;/h3-7,14-15H,8-13H2,1-2H3,(H,22,25);2*1H
InChIKeyCRCRPVGVFIWNEN-UHFFFAOYSA-N
XLogP2.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
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N-[2-[4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]-4-methylbenzamide
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3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
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N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
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4-[[2-(4-bromophenoxy)phenyl]sulfamoyl]-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride?
The IUPAC name of 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride (CID 71449110) is 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride?
The canonical SMILES for 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride is COc1cccc(C(=O)NCCN2CCN(c3cc(C)ccn3)CC2)c1.Cl.Cl.
What is the InChIKey of 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride?
The InChIKey is CRCRPVGVFIWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.2ClH/c1-16-6-7-21-19(14-16)24-12-10-23(11-13-24)9-8-22-20(25)17-4-3-5-18(15-17)26-2;;/h3-7,14-15H,8-13H2,1-2H3,(H,22,25);2*1H.
What are the key properties of 3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride?
3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride has a molecular weight of 427.38 g/mol, XLogP of 2.79, 6 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-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 71449110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).