N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

C19H29N3O3 — CID 113164653

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCCN1CCN(C(=O)CN(CCc2cccc(OC)c2)C(C)=O)CC1
InChIInChI=1S/C19H29N3O3/c1-4-20-10-12-21(13-11-20)19(24)15-22(16(2)23)9-8-17-6-5-7-18(14-17)25-3/h5-7,14H,4,8-13,15H2,1-3H3
InChIKeyCFTBKILHMPOCLM-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.25
Rot. Bonds7

About N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide

N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 113164653) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
PubChem CID113164653
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
SMILESCCN1CCN(C(=O)CN(CCc2cccc(OC)c2)C(C)=O)CC1
InChIInChI=1S/C19H29N3O3/c1-4-20-10-12-21(13-11-20)19(24)15-22(16(2)23)9-8-17-6-5-7-18(14-17)25-3/h5-7,14H,4,8-13,15H2,1-3H3
InChIKeyCFTBKILHMPOCLM-UHFFFAOYSA-N
XLogP1.25
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113164639
N-[2-(azepan-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113164704
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
CID 113164636
N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113164847
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
N-[2-(3-methoxyphenyl)ethyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113152194
2-[1-[2-[acetyl(2-phenylethyl)amino]acetyl]piperidin-4-yl]-2-methoxyacetic acid
CID 154871241
N-[2-(3-chlorophenyl)ethyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113166895
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
CID 110738740
N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 113152203
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide (CID 113164653) is N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is CCN1CCN(C(=O)CN(CCc2cccc(OC)c2)C(C)=O)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is CFTBKILHMPOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-20-10-12-21(13-11-20)19(24)15-22(16(2)23)9-8-17-6-5-7-18(14-17)25-3/h5-7,14H,4,8-13,15H2,1-3H3.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide?
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 1.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113164653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).