2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide

C18H24ClN5O3 — CID 55411004

IUPAC2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(CC(=O)NC2CC2)CC1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H24ClN5O3/c19-15-4-2-1-3-14(15)18(27)22-21-17(26)12-24-9-7-23(8-10-24)11-16(25)20-13-5-6-13/h1-4,13H,5-12H2,(H,20,25)(H,21,26)(H,22,27)
InChIKeyJOMUMHYBOZUJTM-UHFFFAOYSA-N
MW393.88 g/mol
LogP-0.00
Rot. Bonds6

About 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 55411004) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID55411004
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC Name2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(CC(=O)NC2CC2)CC1)NNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H24ClN5O3/c19-15-4-2-1-3-14(15)18(27)22-21-17(26)12-24-9-7-23(8-10-24)11-16(25)20-13-5-6-13/h1-4,13H,5-12H2,(H,20,25)(H,21,26)(H,22,27)
InChIKeyJOMUMHYBOZUJTM-UHFFFAOYSA-N
XLogP-0.00
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 35372589
N-cyclopropyl-2-[4-[2-(2,6-dichloroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30740870
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 8704585
N'-[2-[4-(4-acetylphenyl)piperazin-1-yl]acetyl]-2-chlorobenzohydrazide
CID 26596996
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55498911
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30993776
2-chloro-N'-[2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]benzohydrazide
CID 26607166
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51295287
1-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816268

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 55411004) is 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(CC(=O)NC2CC2)CC1)NNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is JOMUMHYBOZUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O3/c19-15-4-2-1-3-14(15)18(27)22-21-17(26)12-24-9-7-23(8-10-24)11-16(25)20-13-5-6-13/h1-4,13H,5-12H2,(H,20,25)(H,21,26)(H,22,27).
What are the key properties of 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 393.88 g/mol, XLogP of -0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 55411004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).