(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

C20H24N4O4 — CID 35824611

IUPAC(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C20H24N4O4/c1-23(2)16-8-3-6-14(12-16)18(25)21-22-19(26)15-7-4-10-24(13-15)20(27)17-9-5-11-28-17/h3,5-6,8-9,11-12,15H,4,7,10,13H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeyXDPVSKBGFASTPJ-HNNXBMFYSA-N
MW384.44 g/mol
LogP1.66
Rot. Bonds4

About (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (PubChem CID 35824611) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
PubChem CID35824611
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1
InChIInChI=1S/C20H24N4O4/c1-23(2)16-8-3-6-14(12-16)18(25)21-22-19(26)15-7-4-10-24(13-15)20(27)17-9-5-11-28-17/h3,5-6,8-9,11-12,15H,4,7,10,13H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1
InChIKeyXDPVSKBGFASTPJ-HNNXBMFYSA-N
XLogP1.66
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769
N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46520147
N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46523711
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 94392069
N-(3-ethylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46516477
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 42938304
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
azepan-1-yl(furan-2-yl)methanone
CID 5200992

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (CID 35824611) is (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is CN(C)c1cccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1.
What is the InChIKey of (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is XDPVSKBGFASTPJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-23(2)16-8-3-6-14(12-16)18(25)21-22-19(26)15-7-4-10-24(13-15)20(27)17-9-5-11-28-17/h3,5-6,8-9,11-12,15H,4,7,10,13H2,1-2H3,(H,21,25)(H,22,26)/t15-/m0/s1.
What are the key properties of (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 384.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 35824611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).