N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide

C17H24N4O3 — CID 26623969

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCN1
InChIInChI=1S/C17H24N4O3/c22-16-12-21(6-5-18-16)13-17(23)19-15-3-1-14(2-4-15)11-20-7-9-24-10-8-20/h1-4H,5-13H2,(H,18,22)(H,19,23)
InChIKeyJUERRXZMJYQEAT-UHFFFAOYSA-N
MW332.40 g/mol
LogP-0.11
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 26623969) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID26623969
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESO=C1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCN1
InChIInChI=1S/C17H24N4O3/c22-16-12-21(6-5-18-16)13-17(23)19-15-3-1-14(2-4-15)11-20-7-9-24-10-8-20/h1-4H,5-13H2,(H,18,22)(H,19,23)
InChIKeyJUERRXZMJYQEAT-UHFFFAOYSA-N
XLogP-0.11
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
2-(4-aminopiperidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119908408
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 2113839
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
2-[3-(methylamino)piperidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 119919788
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8962484
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629426
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78912261
N-[4-amino-3-(trifluoromethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 16778689
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 26623969) is N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide is O=C1CN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CCN1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is JUERRXZMJYQEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16-12-21(6-5-18-16)13-17(23)19-15-3-1-14(2-4-15)11-20-7-9-24-10-8-20/h1-4H,5-13H2,(H,18,22)(H,19,23).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 332.40 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 26623969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).