N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide

C22H25N5O4 — CID 55841828

IUPACN-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H25N5O4/c28-21(24-20-7-2-1-6-19(20)22(29)23-16-8-9-16)15-25-10-12-26(13-11-25)17-4-3-5-18(14-17)27(30)31/h1-7,14,16H,8-13,15H2,(H,23,29)(H,24,28)
InChIKeyZRXFAAKNZRNSRE-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.25
Rot. Bonds7

About N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide

N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 55841828) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID55841828
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC NameN-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1C(=O)NC1CC1
InChIInChI=1S/C22H25N5O4/c28-21(24-20-7-2-1-6-19(20)22(29)23-16-8-9-16)15-25-10-12-26(13-11-25)17-4-3-5-18(14-17)27(30)31/h1-7,14,16H,8-13,15H2,(H,23,29)(H,24,28)
InChIKeyZRXFAAKNZRNSRE-UHFFFAOYSA-N
XLogP2.25
TPSA107.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.25
H-Bond Donors ≤ 52
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

N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
2-chloro-N'-[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]benzohydrazide
CID 55842735
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-cyclopropylbenzamide
CID 8704585
N-cyclopropyl-2-[[2-(5-nitro-2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 17411352
N-cyclopropyl-2-[[2-(5-nitro-2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 16610937
N-cyclopropyl-2-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 2697520
2-[4-(3-nitrophenyl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55843110
N-cyclopropyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzamide
CID 55366968
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carboxamide
CID 55531472
N-cyclopropyl-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 22198597

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide (CID 55841828) is N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide is O=C(CN1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is ZRXFAAKNZRNSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c28-21(24-20-7-2-1-6-19(20)22(29)23-16-8-9-16)15-25-10-12-26(13-11-25)17-4-3-5-18(14-17)27(30)31/h1-7,14,16H,8-13,15H2,(H,23,29)(H,24,28).
What are the key properties of N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide?
N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 423.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[4-(3-nitrophenyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 55841828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).