N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide

C17H19F2N3O3 — CID 30457041

IUPACN'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CC1
InChIInChI=1S/C17H19F2N3O3/c18-12-3-4-13(14(19)9-12)17(25)22-7-5-11(6-8-22)16(24)21-20-15(23)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,23)(H,21,24)
InChIKeyTWJJURDHHOCOCX-UHFFFAOYSA-N
MW351.35 g/mol
LogP1.37
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide

N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide (PubChem CID 30457041) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
PubChem CID30457041
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC NameN'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CC1
InChIInChI=1S/C17H19F2N3O3/c18-12-3-4-13(14(19)9-12)17(25)22-7-5-11(6-8-22)16(24)21-20-15(23)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,23)(H,21,24)
InChIKeyTWJJURDHHOCOCX-UHFFFAOYSA-N
XLogP1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119506667
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
1-(2,4-difluorobenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119506666
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide (CID 30457041) is N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CC1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide?
The InChIKey is TWJJURDHHOCOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c18-12-3-4-13(14(19)9-12)17(25)22-7-5-11(6-8-22)16(24)21-20-15(23)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,23)(H,21,24).
What are the key properties of N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide?
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide has a molecular weight of 351.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 30457041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).