N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

C15H20N4O3 — CID 22198597

IUPACN-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CC1
InChIInChI=1S/C15H20N4O3/c20-15(16-12-1-2-12)11-17-7-9-18(10-8-17)13-3-5-14(6-4-13)19(21)22/h3-6,12H,1-2,7-11H2,(H,16,20)
InChIKeyQXAVGYHECRARES-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.00
Rot. Bonds5

About N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 22198597) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID22198597
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CC1
InChIInChI=1S/C15H20N4O3/c20-15(16-12-1-2-12)11-17-7-9-18(10-8-17)13-3-5-14(6-4-13)19(21)22/h3-6,12H,1-2,7-11H2,(H,16,20)
InChIKeyQXAVGYHECRARES-UHFFFAOYSA-N
XLogP1.00
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 27172798
N-cyclopropyl-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 6465367
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 11930160
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 11930158
N-ethyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 36727936
2-[4-(4-nitrophenyl)piperazin-1-yl]acetic acid
CID 43397285
2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198584
2-methoxy-N-[1-(4-nitrophenyl)piperidin-4-yl]acetamide
CID 47054291
N-cyclopropyl-2-[1-[4-(4-nitrophenyl)piperazine-1-carbonyl]cyclopentyl]acetamide
CID 9033186
2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 78810203
N-cyclopropyl-2-(4-nitrophenyl)acetamide
CID 4249885

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide (CID 22198597) is N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is QXAVGYHECRARES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-15(16-12-1-2-12)11-17-7-9-18(10-8-17)13-3-5-14(6-4-13)19(21)22/h3-6,12H,1-2,7-11H2,(H,16,20).
What are the key properties of N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 22198597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).