2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide

C16H19N5O3 — CID 133478487

IUPAC2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESN#Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C16H19N5O3/c17-10-12-1-4-14(21(23)24)15(9-12)20-7-5-19(6-8-20)11-16(22)18-13-2-3-13/h1,4,9,13H,2-3,5-8,11H2,(H,18,22)
InChIKeyMIESRZLFXNBCJE-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.87
Rot. Bonds5

About 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide

2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 133478487) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID133478487
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide
SMILESN#Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)NC3CC3)CC2)c1
InChIInChI=1S/C16H19N5O3/c17-10-12-1-4-14(21(23)24)15(9-12)20-7-5-19(6-8-20)11-16(22)18-13-2-3-13/h1,4,9,13H,2-3,5-8,11H2,(H,18,22)
InChIKeyMIESRZLFXNBCJE-UHFFFAOYSA-N
XLogP0.87
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-nitro-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]benzonitrile
CID 133478631
N-cyclopentyl-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 17396044
tert-butyl N-[1-(5-cyano-2-nitrophenyl)piperidin-4-yl]carbamate
CID 133328190
3-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-4-nitrobenzonitrile
CID 133478994
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597
methyl 1-(5-cyano-2-nitrophenyl)piperidine-4-carboxylate
CID 104714066
4-nitro-3-piperazin-1-ylbenzonitrile
CID 112694733
3-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-nitrobenzonitrile
CID 133478535
2-[4-(4-cyano-2-nitrophenyl)-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 133312911
3-[4-(2-aminoethyl)piperidin-1-yl]-4-nitrobenzonitrile
CID 104713918
2-[1-(5-cyano-2-nitrophenyl)pyrrolidin-3-yl]acetic acid
CID 104712974
tert-butyl N-[1-(5-cyano-2-nitrophenyl)piperidin-3-yl]carbamate
CID 164530093

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide (CID 133478487) is 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide is N#Cc1ccc([N+](=O)[O-])c(N2CCN(CC(=O)NC3CC3)CC2)c1.
What is the InChIKey of 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is MIESRZLFXNBCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c17-10-12-1-4-14(21(23)24)15(9-12)20-7-5-19(6-8-20)11-16(22)18-13-2-3-13/h1,4,9,13H,2-3,5-8,11H2,(H,18,22).
What are the key properties of 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 329.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyano-2-nitrophenyl)piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 133478487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).