2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide

C19H29ClN4O2 — CID 8800252

IUPAC2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H29ClN4O2/c1-2-3-6-9-21-18(25)14-23-10-12-24(13-11-23)15-19(26)22-17-8-5-4-7-16(17)20/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyVORZNFDMUYQFER-UHFFFAOYSA-N
MW380.92 g/mol
LogP2.20
Rot. Bonds9

About 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide

2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide (PubChem CID 8800252) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
PubChem CID8800252
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C19H29ClN4O2/c1-2-3-6-9-21-18(25)14-23-10-12-24(13-11-23)15-19(26)22-17-8-5-4-7-16(17)20/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyVORZNFDMUYQFER-UHFFFAOYSA-N
XLogP2.20
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]benzamide
CID 18284875
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
2-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 9434323
2-[4-[butyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55627423
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
N-(2-chlorophenyl)-2-(4-prop-2-ynylpiperazin-1-yl)acetamide
CID 47109715
N-(2-chlorophenyl)-2-[4-(3-methylbut-2-enyl)piperazin-1-yl]acetamide
CID 8800016

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide?
The IUPAC name of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide (CID 8800252) is 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide?
The canonical SMILES for 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide is CCCCCNC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide?
The InChIKey is VORZNFDMUYQFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-2-3-6-9-21-18(25)14-23-10-12-24(13-11-23)15-19(26)22-17-8-5-4-7-16(17)20/h4-5,7-8H,2-3,6,9-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide?
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide has a molecular weight of 380.92 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-pentylacetamide is sourced from PubChem (CID 8800252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).