4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide

C18H26N4O3 — CID 34710306

IUPAC4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H26N4O3/c19-18(24)16-3-1-15(2-4-16)13-20-5-7-21(8-6-20)14-17(23)22-9-11-25-12-10-22/h1-4H,5-14H2,(H2,19,24)
InChIKeyYWIKTYGKOAKRFC-UHFFFAOYSA-N
MW346.43 g/mol
LogP-0.24
Rot. Bonds5

About 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide

4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 34710306) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
PubChem CID34710306
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C18H26N4O3/c19-18(24)16-3-1-15(2-4-16)13-20-5-7-21(8-6-20)14-17(23)22-9-11-25-12-10-22/h1-4H,5-14H2,(H2,19,24)
InChIKeyYWIKTYGKOAKRFC-UHFFFAOYSA-N
XLogP-0.24
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78792801
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 2315916
4-[(E)-2-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]ethenyl]benzamide
CID 59686459
1-(4-benzylpiperazin-1-yl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 55446651
4-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]benzamide
CID 55566365
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
CID 59303659
CID 59303659
4-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]benzamide
CID 34429507
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
CID 69201817

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide (CID 34710306) is 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide is NC(=O)c1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is YWIKTYGKOAKRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-18(24)16-3-1-15(2-4-16)13-20-5-7-21(8-6-20)14-17(23)22-9-11-25-12-10-22/h1-4H,5-14H2,(H2,19,24).
What are the key properties of 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide?
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 34710306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).