2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide

C22H28N4O4 — CID 42095722

IUPAC2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
SMILESCCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOc2cccnc2)cc1
InChIInChI=1S/C22H28N4O4/c1-2-29-18-7-5-17(6-8-18)16-26-12-10-25-22(28)20(26)14-21(27)24-11-13-30-19-4-3-9-23-15-19/h3-9,15,20H,2,10-14,16H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyYQHKVAKWFIPUGJ-HXUWFJFHSA-N
MW412.49 g/mol
LogP1.37
Rot. Bonds10

About 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide

2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide (PubChem CID 42095722) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
PubChem CID42095722
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
SMILESCCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOc2cccnc2)cc1
InChIInChI=1S/C22H28N4O4/c1-2-29-18-7-5-17(6-8-18)16-26-12-10-25-22(28)20(26)14-21(27)24-11-13-30-19-4-3-9-23-15-19/h3-9,15,20H,2,10-14,16H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1
InChIKeyYQHKVAKWFIPUGJ-HXUWFJFHSA-N
XLogP1.37
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 45233956
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-methoxypropyl)acetamide
CID 45251521
2-[(2R)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 26395842
2-[(2S)-3-oxo-1-(2-phenylethyl)piperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42198802
2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide
CID 42394628
N-cyclopropyl-2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95708991
N-cyclopropyl-2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56884569
methyl 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 952254
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 45249434
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 45185305
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 56900647
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide?
The IUPAC name of 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide (CID 42095722) is 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide is CCOc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCOc2cccnc2)cc1.
What is the InChIKey of 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide?
The InChIKey is YQHKVAKWFIPUGJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-2-29-18-7-5-17(6-8-18)16-26-12-10-25-22(28)20(26)14-21(27)24-11-13-30-19-4-3-9-23-15-19/h3-9,15,20H,2,10-14,16H2,1H3,(H,24,27)(H,25,28)/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide?
2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide has a molecular weight of 412.49 g/mol, XLogP of 1.37, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyridin-3-yloxyethyl)acetamide is sourced from PubChem (CID 42095722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).