N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide

C22H27N3O3 — CID 109046103

IUPACN-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-24-12-14-25(15-13-24)22(27)19-8-6-18(7-9-19)21(26)23-11-10-17-4-3-5-20(16-17)28-2/h3-9,16H,10-15H2,1-2H3,(H,23,26)
InChIKeySNFXGZURWHKFJO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide

N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109046103) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109046103
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C22H27N3O3/c1-24-12-14-25(15-13-24)22(27)19-8-6-18(7-9-19)21(26)23-11-10-17-4-3-5-20(16-17)28-2/h3-9,16H,10-15H2,1-2H3,(H,23,26)
InChIKeySNFXGZURWHKFJO-UHFFFAOYSA-N
XLogP2.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046101
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081831
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109046103) is N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide is COc1cccc(CCNC(=O)c2ccc(C(=O)N3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is SNFXGZURWHKFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24-12-14-25(15-13-24)22(27)19-8-6-18(7-9-19)21(26)23-11-10-17-4-3-5-20(16-17)28-2/h3-9,16H,10-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109046103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).