4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C22H34N4O4 — CID 46332972

IUPAC4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C22H34N4O4/c1-2-30-20-6-4-19(5-7-20)22(28)26(11-3-10-24-14-16-29-17-15-24)18-21(27)25-12-8-23-9-13-25/h4-7,23H,2-3,8-18H2,1H3
InChIKeyXCXFHXASCJQZBA-UHFFFAOYSA-N
MW418.54 g/mol
LogP0.68
Rot. Bonds9

About 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 46332972) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID46332972
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC Name4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C22H34N4O4/c1-2-30-20-6-4-19(5-7-20)22(28)26(11-3-10-24-14-16-29-17-15-24)18-21(27)25-12-8-23-9-13-25/h4-7,23H,2-3,8-18H2,1H3
InChIKeyXCXFHXASCJQZBA-UHFFFAOYSA-N
XLogP0.68
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146065491
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
4-bromo-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058398
4-ethoxy-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454852
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779310
4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide
CID 20934235
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 119915080
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
4-ethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 50775980
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 50788677
4-ethyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 10250791

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 46332972) is 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is CCOc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is XCXFHXASCJQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-2-30-20-6-4-19(5-7-20)22(28)26(11-3-10-24-14-16-29-17-15-24)18-21(27)25-12-8-23-9-13-25/h4-7,23H,2-3,8-18H2,1H3.
What are the key properties of 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 418.54 g/mol, XLogP of 0.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 46332972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).