N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide

C14H16FN3O — CID 63625901

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
SMILESN#CCN1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-11(10-12)14(19)17-13-4-7-18(8-5-13)9-6-16/h1-3,10,13H,4-5,7-9H2,(H,17,19)
InChIKeyIVKQXOVRHJUAEP-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.54
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide

N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide (PubChem CID 63625901) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
PubChem CID63625901
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
SMILESN#CCN1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-11(10-12)14(19)17-13-4-7-18(8-5-13)9-6-16/h1-3,10,13H,4-5,7-9H2,(H,17,19)
InChIKeyIVKQXOVRHJUAEP-UHFFFAOYSA-N
XLogP1.54
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.54
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]-4-fluoro-3-methylbenzamide
CID 63625209
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 63625204
N-[1-(cyanomethyl)piperidin-4-yl]-3,4-dihydroxybenzamide
CID 103956985
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427
N-[1-(cyanomethyl)piperidin-4-yl]-2,3-difluorobenzamide
CID 63625025
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
N-[1-(cyanomethyl)piperidin-4-yl]-3,5-dimethylbenzamide
CID 63625203
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
4-chloro-N-[1-(cyanomethyl)piperidin-4-yl]-3-methylbenzamide
CID 115694687

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide (CID 63625901) is N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide is N#CCN1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide?
The InChIKey is IVKQXOVRHJUAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-3-1-2-11(10-12)14(19)17-13-4-7-18(8-5-13)9-6-16/h1-3,10,13H,4-5,7-9H2,(H,17,19).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide?
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide has a molecular weight of 261.30 g/mol, XLogP of 1.54, 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]-3-fluorobenzamide is sourced from PubChem (CID 63625901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).