N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide

C18H22N4O3 — CID 18552343

IUPACN'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)N2CCN(c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(14(2)25-13)17(23)19-20-18(24)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyBCLUSKDNYGBLJL-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.07
Rot. Bonds2

About N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide

N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide (PubChem CID 18552343) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
PubChem CID18552343
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)N2CCN(c3ccccc3)CC2)c(C)o1
InChIInChI=1S/C18H22N4O3/c1-13-12-16(14(2)25-13)17(23)19-20-18(24)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyBCLUSKDNYGBLJL-UHFFFAOYSA-N
XLogP2.07
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylfuran-3-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 51276164
2,5-dimethyl-N'-(2-methylbenzoyl)furan-3-carbohydrazide
CID 7808967
1-[4-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 25332880
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55870206
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 42780031
N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 26247359
2,5-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]furan-3-carboxamide
CID 30900411
1-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 2101213
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide
CID 3771212

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide?
The IUPAC name of N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide (CID 18552343) is N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide.
What is the SMILES notation for N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide?
The canonical SMILES for N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide is Cc1cc(C(=O)NNC(=O)N2CCN(c3ccccc3)CC2)c(C)o1.
What is the InChIKey of N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide?
The InChIKey is BCLUSKDNYGBLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-12-16(14(2)25-13)17(23)19-20-18(24)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide?
N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylfuran-3-carbonyl)-4-phenylpiperazine-1-carbohydrazide is sourced from PubChem (CID 18552343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).