2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide

C21H32N4O3 — CID 87014322

IUPAC2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-2-13-28-19-7-3-17(4-8-19)14-22-20(26)15-24-9-11-25(12-10-24)16-21(27)23-18-5-6-18/h3-4,7-8,18H,2,5-6,9-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyPPOULYZPUWJHLI-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.99
Rot. Bonds10

About 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide

2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 87014322) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID87014322
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C21H32N4O3/c1-2-13-28-19-7-3-17(4-8-19)14-22-20(26)15-24-9-11-25(12-10-24)16-21(27)23-18-5-6-18/h3-4,7-8,18H,2,5-6,9-16H2,1H3,(H,22,26)(H,23,27)
InChIKeyPPOULYZPUWJHLI-UHFFFAOYSA-N
XLogP0.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]piperazin-1-yl]acetamide
CID 87016083
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-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 110921436
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 9260123
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115672820
N-cyclopropyl-2-[4-[4-oxo-4-(4-pentoxyphenyl)butanoyl]piperazin-1-yl]acetamide
CID 55389748
N-(4-hydroxycyclohexyl)-2-(4-propoxyphenoxy)acetamide
CID 78767377
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
4-(4-tert-butylphenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]butanamide
CID 39146511
N-cyclopropyl-2-[4-(3-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 110709703

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide (CID 87014322) is 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)CN2CCN(CC(=O)NC3CC3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is PPOULYZPUWJHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-2-13-28-19-7-3-17(4-8-19)14-22-20(26)15-24-9-11-25(12-10-24)16-21(27)23-18-5-6-18/h3-4,7-8,18H,2,5-6,9-16H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide?
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 0.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-[(4-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 87014322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).