N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide

C15H20N4O4 — CID 56796707

IUPACN-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESNC(=O)COc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1
InChIInChI=1S/C15H20N4O4/c16-13(20)10-23-12-3-1-11(2-4-12)7-18-15(22)9-19-6-5-17-14(21)8-19/h1-4H,5-10H2,(H2,16,20)(H,17,21)(H,18,22)
InChIKeyILYYGWRSIYPVNO-UHFFFAOYSA-N
MW320.35 g/mol
LogP-1.40
Rot. Bonds7

About N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide

N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 56796707) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID56796707
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide
SMILESNC(=O)COc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1
InChIInChI=1S/C15H20N4O4/c16-13(20)10-23-12-3-1-11(2-4-12)7-18-15(22)9-19-6-5-17-14(21)8-19/h1-4H,5-10H2,(H2,16,20)(H,17,21)(H,18,22)
InChIKeyILYYGWRSIYPVNO-UHFFFAOYSA-N
XLogP-1.40
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2546535
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]acetamide;hydrochloride
CID 120773098
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide
CID 124726996
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473
2-[4-[4-[[(2-oxopyrrolidin-3-yl)amino]methyl]phenyl]phenoxy]acetamide
CID 167848010
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8549384
4-[3-(4-aminophenoxy)propyl]piperazin-2-one
CID 43365531
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 91779133
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
2-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 62880126

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide (CID 56796707) is N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide is NC(=O)COc1ccc(CNC(=O)CN2CCNC(=O)C2)cc1.
What is the InChIKey of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is ILYYGWRSIYPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c16-13(20)10-23-12-3-1-11(2-4-12)7-18-15(22)9-19-6-5-17-14(21)8-19/h1-4H,5-10H2,(H2,16,20)(H,17,21)(H,18,22).
What are the key properties of N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide?
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of -1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 56796707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).