N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide

C20H32N4O3 — CID 87016083

IUPACN-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2CCN(CC(=O)NCC)CC2)cc1
InChIInChI=1S/C20H32N4O3/c1-3-13-27-18-7-5-17(6-8-18)14-22-20(26)16-24-11-9-23(10-12-24)15-19(25)21-4-2/h5-8H,3-4,9-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUNAPLOOQHLZSQU-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.85
Rot. Bonds10

About N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide

N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide (PubChem CID 87016083) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
PubChem CID87016083
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2CCN(CC(=O)NCC)CC2)cc1
InChIInChI=1S/C20H32N4O3/c1-3-13-27-18-7-5-17(6-8-18)14-22-20(26)16-24-11-9-23(10-12-24)15-19(25)21-4-2/h5-8H,3-4,9-16H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUNAPLOOQHLZSQU-UHFFFAOYSA-N
XLogP0.85
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 87014322
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 78899254
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 120774187
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-ethylacetamide
CID 30988005
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9260239
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
4-[[[2-(4-propoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45426481
N-benzyl-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260179
N-ethyl-2-[4-(6-propoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]acetamide
CID 139706623
2-(3-methylindazol-1-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 4546851

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide (CID 87016083) is N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide is CCCOc1ccc(CNC(=O)CN2CCN(CC(=O)NCC)CC2)cc1.
What is the InChIKey of N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide?
The InChIKey is UNAPLOOQHLZSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-13-27-18-7-5-17(6-8-18)14-22-20(26)16-24-11-9-23(10-12-24)15-19(25)21-4-2/h5-8H,3-4,9-16H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide?
N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 0.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 87016083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).