3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide

C25H32N4O4 — CID 30722426

IUPAC3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide
SMILESO=C(CCN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C25H32N4O4/c30-24(26-22-8-4-5-9-23(22)33-21-6-2-1-3-7-21)10-11-27-12-14-28(15-13-27)20-25(31)29-16-18-32-19-17-29/h1-9H,10-20H2,(H,26,30)
InChIKeyXYCFGMUYDJMLBG-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.28
Rot. Bonds8

About 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide

3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide (PubChem CID 30722426) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide
PubChem CID30722426
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide
SMILESO=C(CCN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C25H32N4O4/c30-24(26-22-8-4-5-9-23(22)33-21-6-2-1-3-7-21)10-11-27-12-14-28(15-13-27)20-25(31)29-16-18-32-19-17-29/h1-9H,10-20H2,(H,26,30)
InChIKeyXYCFGMUYDJMLBG-UHFFFAOYSA-N
XLogP2.28
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-4-yl-2-[4-[(2-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 17445200
N-[4-(2-chlorophenoxy)phenyl]-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 30739596
N-(2-phenoxyphenyl)-3-(4-phenylmethoxypiperidin-1-yl)propanamide
CID 55482829
2-[4-(morpholine-4-carbonyl)phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 18837764
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
3-(1,3-oxazol-4-yl)-N-(2-phenoxyphenyl)propanamide
CID 110679129
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 25492304

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide?
The IUPAC name of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide (CID 30722426) is 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide is O=C(CCN1CCN(CC(=O)N2CCOCC2)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide?
The InChIKey is XYCFGMUYDJMLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c30-24(26-22-8-4-5-9-23(22)33-21-6-2-1-3-7-21)10-11-27-12-14-28(15-13-27)20-25(31)29-16-18-32-19-17-29/h1-9H,10-20H2,(H,26,30).
What are the key properties of 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide?
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide has a molecular weight of 452.56 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(2-phenoxyphenyl)propanamide is sourced from PubChem (CID 30722426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).