2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide

C16H17ClN6O3 — CID 133467756

IUPAC2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C16H17ClN6O3/c17-12-3-1-11(2-4-12)14(15(18)24)21-5-7-22(8-6-21)16-19-9-13(10-20-16)23(25)26/h1-4,9-10,14H,5-8H2,(H2,18,24)
InChIKeySFJFYARZMRVWPX-UHFFFAOYSA-N
MW376.80 g/mol
LogP1.39
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide

2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide (PubChem CID 133467756) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide
PubChem CID133467756
Molecular FormulaC16H17ClN6O3
Molecular Weight376.80 g/mol
Exact Mass376.11
IUPAC Name2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide
SMILESNC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1
InChIInChI=1S/C16H17ClN6O3/c17-12-3-1-11(2-4-12)14(15(18)24)21-5-7-22(8-6-21)16-19-9-13(10-20-16)23(25)26/h1-4,9-10,14H,5-8H2,(H2,18,24)
InChIKeySFJFYARZMRVWPX-UHFFFAOYSA-N
XLogP1.39
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-amino-5-nitropyrimidin-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 60501112
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
CID 95587281
2-(4-chlorophenyl)-2-[4-(5-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 133359105
(2S)-2-(4-chlorophenyl)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 25385246
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-chlorophenyl)acetamide
CID 102563458
2-(4-chlorophenyl)-2-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 86789406
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 60579372
5-nitro-2-piperazin-1-ylpyrimidine;hydrochloride
CID 171935098
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
6-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154640969
(2R)-2-[4-(4-nitro-1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 95342764

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide (CID 133467756) is 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide is NC(=O)C(c1ccc(Cl)cc1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is SFJFYARZMRVWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c17-12-3-1-11(2-4-12)14(15(18)24)21-5-7-22(8-6-21)16-19-9-13(10-20-16)23(25)26/h1-4,9-10,14H,5-8H2,(H2,18,24).
What are the key properties of 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide?
2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 376.80 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[4-(5-nitropyrimidin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133467756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).