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

C23H31N3O2 — CID 171674684

IUPACN-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCOc1cccc(CCN(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)c1
InChIInChI=1S/C23H31N3O2/c1-24-12-14-26(15-13-24)18-20-7-4-8-21(16-20)23(27)25(2)11-10-19-6-5-9-22(17-19)28-3/h4-9,16-17H,10-15,18H2,1-3H3
InChIKeyLHTULDCJWQSYDV-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.76
Rot. Bonds7

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

N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 171674684) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID171674684
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCOc1cccc(CCN(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)c1
InChIInChI=1S/C23H31N3O2/c1-24-12-14-26(15-13-24)18-20-7-4-8-21(16-20)23(27)25(2)11-10-19-6-5-9-22(17-19)28-3/h4-9,16-17H,10-15,18H2,1-3H3
InChIKeyLHTULDCJWQSYDV-UHFFFAOYSA-N
XLogP2.76
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3-[(4-methylpiperazin-1-yl)methyl]-N-(2-phenylethyl)benzamide;dihydrochloride
CID 120884829
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
2-[2-(3-methoxyphenyl)ethyl-methylamino]-2-oxoacetic acid
CID 82129650
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
N-[2-[cyclopropyl(methyl)amino]ethyl]-N-methyl-3-(piperidin-1-ylmethyl)benzamide
CID 122152760
6-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442553
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 171674684) is N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide is COc1cccc(CCN(C)C(=O)c2cccc(CN3CCN(C)CC3)c2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is LHTULDCJWQSYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-24-12-14-26(15-13-24)18-20-7-4-8-21(16-20)23(27)25(2)11-10-19-6-5-9-22(17-19)28-3/h4-9,16-17H,10-15,18H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 171674684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).