N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide

C20H20N4O4 — CID 35708730

IUPACN'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N4O4/c25-18(13-5-8-24(9-6-13)20(27)14-7-10-28-12-14)22-23-19(26)16-11-21-17-4-2-1-3-15(16)17/h1-4,7,10-13,21H,5-6,8-9H2,(H,22,25)(H,23,26)
InChIKeyTVLJEEZGXNWWGH-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.07
Rot. Bonds3

About N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide

N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide (PubChem CID 35708730) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide
PubChem CID35708730
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H20N4O4/c25-18(13-5-8-24(9-6-13)20(27)14-7-10-28-12-14)22-23-19(26)16-11-21-17-4-2-1-3-15(16)17/h1-4,7,10-13,21H,5-6,8-9H2,(H,22,25)(H,23,26)
InChIKeyTVLJEEZGXNWWGH-UHFFFAOYSA-N
XLogP2.07
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohex-3-ene-1-carbonyl)-1H-indole-3-carbohydrazide
CID 42920037
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260
N'-(1-pyrazin-2-ylpiperidine-4-carbonyl)-1H-indole-3-carbohydrazide
CID 38793783
N-[2-[(4-ethylphenyl)carbamoyl]phenyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 35751439
tert-butyl 4-[(furan-3-carbonylamino)carbamoyl]piperidine-1-carboxylate
CID 49042732
1-[4-(furan-3-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 32530640
N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992604
N-[(2R)-butan-2-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 39992601
1-(furan-3-carbonyl)-N-(4-iodophenyl)piperidine-4-carboxamide
CID 55573185
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
1-(furan-3-carbonyl)-N-[4-(furan-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 55567441

Frequently Asked Questions

What is the IUPAC name of N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide (CID 35708730) is N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide is O=C(NNC(=O)C1CCN(C(=O)c2ccoc2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide?
The InChIKey is TVLJEEZGXNWWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-18(13-5-8-24(9-6-13)20(27)14-7-10-28-12-14)22-23-19(26)16-11-21-17-4-2-1-3-15(16)17/h1-4,7,10-13,21H,5-6,8-9H2,(H,22,25)(H,23,26).
What are the key properties of N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide?
N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide has a molecular weight of 380.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(furan-3-carbonyl)piperidine-4-carbonyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 35708730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).