N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide

C14H16FN3O — CID 60968606

IUPACN-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
SMILESN#CCN1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H16FN3O/c15-13-4-2-1-3-12(13)14(19)17-11-5-8-18(9-6-11)10-7-16/h1-4,11H,5-6,8-10H2,(H,17,19)
InChIKeyFQOOILQQUOXBIT-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.54
Rot. Bonds3

About N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide

N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide (PubChem CID 60968606) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
PubChem CID60968606
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
SMILESN#CCN1CCC(NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C14H16FN3O/c15-13-4-2-1-3-12(13)14(19)17-11-5-8-18(9-6-11)10-7-16/h1-4,11H,5-6,8-10H2,(H,17,19)
InChIKeyFQOOILQQUOXBIT-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]-2,3-difluorobenzamide
CID 63625025
N-[1-(cyanomethyl)piperidin-4-yl]-2,4-difluorobenzamide
CID 63625204
N-[1-(cyanomethyl)piperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 63626427
4-chloro-N-[1-(cyanomethyl)piperidin-4-yl]-2,5-difluorobenzamide
CID 82772011
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
N-[1-(cyanomethyl)piperidin-4-yl]-2,6-dihydroxybenzamide
CID 103890464
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
N-[1-(cyanomethyl)piperidin-4-yl]-4-fluoro-3-methylbenzamide
CID 63625209
4-bromo-N-[1-(cyanomethyl)piperidin-4-yl]-2-hydroxybenzamide
CID 63625545
N-[1-(cyanomethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627664
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide?
The IUPAC name of N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide (CID 60968606) is N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide?
The canonical SMILES for N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide is N#CCN1CCC(NC(=O)c2ccccc2F)CC1.
What is the InChIKey of N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide?
The InChIKey is FQOOILQQUOXBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-13-4-2-1-3-12(13)14(19)17-11-5-8-18(9-6-11)10-7-16/h1-4,11H,5-6,8-10H2,(H,17,19).
What are the key properties of N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide?
N-[1-(cyanomethyl)piperidin-4-yl]-2-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]-2-fluorobenzamide is sourced from PubChem (CID 60968606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).