N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide

C14H15F2N3O — CID 63625025

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
SMILESN#CCN1CCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C14H15F2N3O/c15-12-3-1-2-11(13(12)16)14(20)18-10-4-7-19(8-5-10)9-6-17/h1-3,10H,4-5,7-9H2,(H,18,20)
InChIKeyVIHHGCIYZMUFHD-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.68
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide

N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide (PubChem CID 63625025) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
PubChem CID63625025
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
SMILESN#CCN1CCC(NC(=O)c2cccc(F)c2F)CC1
InChIInChI=1S/C14H15F2N3O/c15-12-3-1-2-11(13(12)16)14(20)18-10-4-7-19(8-5-10)9-6-17/h1-3,10H,4-5,7-9H2,(H,18,20)
InChIKeyVIHHGCIYZMUFHD-UHFFFAOYSA-N
XLogP1.68
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 63625204
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63627169
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
4-chloro-N-[1-(cyanomethyl)piperidin-4-yl]-2,5-difluorobenzamide
CID 82772011
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427
N-(1-tert-butylpiperidin-4-yl)-2,3-difluorobenzamide
CID 62649219
N-[1-(cyanomethyl)piperidin-4-yl]-4-fluoro-3-methylbenzamide
CID 63625209
2,3-difluoro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 62660672
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide (CID 63625025) is N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide is N#CCN1CCC(NC(=O)c2cccc(F)c2F)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide?
The InChIKey is VIHHGCIYZMUFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-12-3-1-2-11(13(12)16)14(20)18-10-4-7-19(8-5-10)9-6-17/h1-3,10H,4-5,7-9H2,(H,18,20).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide?
N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide has a molecular weight of 279.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide is sourced from PubChem (CID 63625025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).