N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide

C21H20N4O4 — CID 51933923

IUPACN'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc2ccccc2n1
InChIInChI=1S/C21H20N4O4/c26-19(15-5-3-10-25(12-15)21(28)16-9-11-29-13-16)23-24-20(27)18-8-7-14-4-1-2-6-17(14)22-18/h1-2,4,6-9,11,13,15H,3,5,10,12H2,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyNPIGGWCSMWDJPP-OAHLLOKOSA-N
MW392.42 g/mol
LogP2.14
Rot. Bonds3

About N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide

N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide (PubChem CID 51933923) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide
PubChem CID51933923
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc2ccccc2n1
InChIInChI=1S/C21H20N4O4/c26-19(15-5-3-10-25(12-15)21(28)16-9-11-29-13-16)23-24-20(27)18-8-7-14-4-1-2-6-17(14)22-18/h1-2,4,6-9,11,13,15H,3,5,10,12H2,(H,23,26)(H,24,27)/t15-/m1/s1
InChIKeyNPIGGWCSMWDJPP-OAHLLOKOSA-N
XLogP2.14
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.14
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

N'-(cyclopropanecarbonyl)quinoline-2-carbohydrazide
CID 26798961
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(3S)-1-(furan-3-carbonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 30806067
1-(furan-3-carbonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 46577074
methyl (3S)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 78919632
tert-butyl 4-[(quinoline-2-carbonylamino)carbamoyl]piperidine-1-carboxylate
CID 55407431
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104

Frequently Asked Questions

What is the IUPAC name of N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide?
The IUPAC name of N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide (CID 51933923) is N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide.
What is the SMILES notation for N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide?
The canonical SMILES for N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccoc2)C1)c1ccc2ccccc2n1.
What is the InChIKey of N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide?
The InChIKey is NPIGGWCSMWDJPP-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-19(15-5-3-10-25(12-15)21(28)16-9-11-29-13-16)23-24-20(27)18-8-7-14-4-1-2-6-17(14)22-18/h1-2,4,6-9,11,13,15H,3,5,10,12H2,(H,23,26)(H,24,27)/t15-/m1/s1.
What are the key properties of N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide?
N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide has a molecular weight of 392.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3R)-1-(furan-3-carbonyl)piperidine-3-carbonyl]quinoline-2-carbohydrazide is sourced from PubChem (CID 51933923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).