N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide

C18H19N5O6 — CID 27154833

IUPACN'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O6/c24-16(19-20-17(25)13-3-1-4-14(11-13)23(27)28)12-21-6-8-22(9-7-21)18(26)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H,19,24)(H,20,25)
InChIKeyFBCAMKCBMVLGPT-UHFFFAOYSA-N
MW401.38 g/mol
LogP0.41
Rot. Bonds5

About N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide

N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide (PubChem CID 27154833) has the molecular formula C18H19N5O6 and a molecular weight of 401.38 g/mol. Its IUPAC name is N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
PubChem CID27154833
Molecular FormulaC18H19N5O6
Molecular Weight401.38 g/mol
Exact Mass401.13
IUPAC NameN'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O6/c24-16(19-20-17(25)13-3-1-4-14(11-13)23(27)28)12-21-6-8-22(9-7-21)18(26)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H,19,24)(H,20,25)
InChIKeyFBCAMKCBMVLGPT-UHFFFAOYSA-N
XLogP0.41
TPSA138.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 50.41
H-Bond Donors ≤ 52
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-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 1452101
N'-(3-nitrobenzoyl)furan-2-carbohydrazide
CID 3127339
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8932775
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-nitrophenyl)propanamide
CID 37376311
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-3-nitrobenzamide
CID 46271164
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
N'-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide
CID 55354434
N'-[2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]acetyl]-3-nitrobenzohydrazide
CID 55849681
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dinitrobenzamide
CID 134000280
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 773151
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
The IUPAC name of N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide (CID 27154833) is N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide.
What is the SMILES notation for N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
The canonical SMILES for N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide is O=C(CN1CCN(C(=O)c2ccco2)CC1)NNC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
The InChIKey is FBCAMKCBMVLGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O6/c24-16(19-20-17(25)13-3-1-4-14(11-13)23(27)28)12-21-6-8-22(9-7-21)18(26)15-5-2-10-29-15/h1-5,10-11H,6-9,12H2,(H,19,24)(H,20,25).
What are the key properties of N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide?
N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide has a molecular weight of 401.38 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-nitrobenzohydrazide is sourced from PubChem (CID 27154833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).