N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

C22H29N3O4 — CID 42938304

IUPACN'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C22H29N3O4/c26-19(17-3-1-5-25(13-17)20(27)18-4-2-6-29-18)23-24-21(28)22-10-14-7-15(11-22)9-16(8-14)12-22/h2,4,6,14-17H,1,3,5,7-13H2,(H,23,26)(H,24,28)
InChIKeyDBJWMNVUHXKOTN-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.50
Rot. Bonds3

About N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide

N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (PubChem CID 42938304) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
PubChem CID42938304
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCCN(C(=O)c2ccco2)C1
InChIInChI=1S/C22H29N3O4/c26-19(17-3-1-5-25(13-17)20(27)18-4-2-6-29-18)23-24-21(28)22-10-14-7-15(11-22)9-16(8-14)12-22/h2,4,6,14-17H,1,3,5,7-13H2,(H,23,26)(H,24,28)
InChIKeyDBJWMNVUHXKOTN-UHFFFAOYSA-N
XLogP2.50
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.50
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

N'-(2-bromobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46523711
1-(furan-2-carbonyl)-N-phenylmethoxypiperidine-3-carboxamide
CID 47019403
N'-(2,5-dichlorobenzoyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 46520147
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 38910053
N-(2,3-dichlorophenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938602
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
(3S)-N'-[3-(dimethylamino)benzoyl]-1-(furan-2-carbonyl)piperidine-3-carbohydrazide
CID 35824611
N-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-3-yl]-4-hydroxyadamantane-1-carboxamide
CID 69184886
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(3R)-1-(furan-2-carbonyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 34750702
(3-chloropiperidin-1-yl)-(furan-2-yl)methanone
CID 63392823
N-(3-acetylphenyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42895769

Frequently Asked Questions

What is the IUPAC name of N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide (CID 42938304) is N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCCN(C(=O)c2ccco2)C1.
What is the InChIKey of N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is DBJWMNVUHXKOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c26-19(17-3-1-5-25(13-17)20(27)18-4-2-6-29-18)23-24-21(28)22-10-14-7-15(11-22)9-16(8-14)12-22/h2,4,6,14-17H,1,3,5,7-13H2,(H,23,26)(H,24,28).
What are the key properties of N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide?
N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 399.49 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(adamantane-1-carbonyl)-1-(furan-2-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 42938304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).