2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide

C16H19ClN4O4 — CID 78810203

IUPAC2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)NC1CC1
InChIInChI=1S/C16H19ClN4O4/c17-14-4-3-12(21(24)25)9-13(14)16(23)20-7-5-19(6-8-20)10-15(22)18-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,22)
InChIKeyJRDYBDISRFLFNM-UHFFFAOYSA-N
MW366.81 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 78810203) has the molecular formula C16H19ClN4O4 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID78810203
Molecular FormulaC16H19ClN4O4
Molecular Weight366.81 g/mol
Exact Mass366.11
IUPAC Name2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESO=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)NC1CC1
InChIInChI=1S/C16H19ClN4O4/c17-14-4-3-12(21(24)25)9-13(14)16(23)20-7-5-19(6-8-20)10-15(22)18-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,22)
InChIKeyJRDYBDISRFLFNM-UHFFFAOYSA-N
XLogP1.28
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'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
2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 134025169
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
N-[1-(2-chloro-5-nitrobenzoyl)piperidin-4-yl]-2-methylbenzamide
CID 55688878
(2-chloro-5-nitrophenyl)-thiomorpholin-4-ylmethanone
CID 28787276
(2-chloro-5-nitrophenyl)-morpholin-4-ylmethanone
CID 736596
2-chloro-N-(1-ethylpiperidin-4-yl)-5-nitrobenzamide
CID 61053666
(2-chloro-5-nitrophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79410094
(2-chloro-5-nitrophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43581675
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 51221138
N-cyclopropyl-2-[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 51206869
2-chloro-N-[4-(methylamino)cyclohexyl]-5-nitrobenzamide
CID 79117755

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 78810203) is 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide is O=C(CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)NC1CC1.
What is the InChIKey of 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is JRDYBDISRFLFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O4/c17-14-4-3-12(21(24)25)9-13(14)16(23)20-7-5-19(6-8-20)10-15(22)18-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,22).
What are the key properties of 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 366.81 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 78810203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).