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

C23H29N3O3 — CID 109053657

IUPAC3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)c2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-25-13-15-26(16-14-25)23(28)20-6-4-5-19(17-20)22(27)24-12-11-18-7-9-21(29-2)10-8-18/h4-10,17H,3,11-16H2,1-2H3,(H,24,27)
InChIKeyFUGJQDMQCQHNCJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.45
Rot. Bonds7

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

3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 109053657) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID109053657
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCCN1CCN(C(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)c2)CC1
InChIInChI=1S/C23H29N3O3/c1-3-25-13-15-26(16-14-25)23(28)20-6-4-5-19(17-20)22(27)24-12-11-18-7-9-21(29-2)10-8-18/h4-10,17H,3,11-16H2,1-2H3,(H,24,27)
InChIKeyFUGJQDMQCQHNCJ-UHFFFAOYSA-N
XLogP2.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
3-(4-formylpiperazine-1-carbonyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109053769
3-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)benzamide
CID 109053712
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051992
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109106436
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103183
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 109053657) is 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide is CCN1CCN(C(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is FUGJQDMQCQHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-25-13-15-26(16-14-25)23(28)20-6-4-5-19(17-20)22(27)24-12-11-18-7-9-21(29-2)10-8-18/h4-10,17H,3,11-16H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 109053657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).