1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide

C21H21N3O5 — CID 27685627

IUPAC1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCN(C(=O)c3ccco3)CC2)oc2ccccc12
InChIInChI=1S/C21H21N3O5/c1-13-15-5-2-3-6-16(15)29-18(13)20(26)23-22-19(25)14-8-10-24(11-9-14)21(27)17-7-4-12-28-17/h2-7,12,14H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyJKZMVSWPFCFOJT-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.65
Rot. Bonds3

About 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide

1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide (PubChem CID 27685627) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
PubChem CID27685627
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)C2CCN(C(=O)c3ccco3)CC2)oc2ccccc12
InChIInChI=1S/C21H21N3O5/c1-13-15-5-2-3-6-16(15)29-18(13)20(26)23-22-19(25)14-8-10-24(11-9-14)21(27)17-7-4-12-28-17/h2-7,12,14H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyJKZMVSWPFCFOJT-UHFFFAOYSA-N
XLogP2.65
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methyl-1-benzofuran-2-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931370
tert-butyl 3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 24515671
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-(furan-2-carbonyl)piperidine-4-carbohydrazide
CID 46612326
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
3-ethyl-N'-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-4-oxophthalazine-1-carbohydrazide
CID 26281878
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067179
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925872
1-(2-cyanophenyl)sulfonyl-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 27163714
1-(furan-2-carbonyl)-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 134008364
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
1-(5-cyano-2-pyridinyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide
CID 46690725
3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide (CID 27685627) is 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide is Cc1c(C(=O)NNC(=O)C2CCN(C(=O)c3ccco3)CC2)oc2ccccc12.
What is the InChIKey of 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
The InChIKey is JKZMVSWPFCFOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-13-15-5-2-3-6-16(15)29-18(13)20(26)23-22-19(25)14-8-10-24(11-9-14)21(27)17-7-4-12-28-17/h2-7,12,14H,8-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide?
1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide has a molecular weight of 395.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N'-(3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 27685627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).