3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide

C15H19FN2O — CID 91938316

IUPAC3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O/c1-2-8-18-9-6-14(7-10-18)17-15(19)12-4-3-5-13(16)11-12/h2-5,11,14H,1,6-10H2,(H,17,19)
InChIKeyYMDJZYNKJCSFMN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.21
Rot. Bonds4

About 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide

3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide (PubChem CID 91938316) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
PubChem CID91938316
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O/c1-2-8-18-9-6-14(7-10-18)17-15(19)12-4-3-5-13(16)11-12/h2-5,11,14H,1,6-10H2,(H,17,19)
InChIKeyYMDJZYNKJCSFMN-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
N-[1-(cyanomethyl)piperidin-4-yl]-3-fluorobenzamide
CID 63625901
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
N-(1-ethylsulfonylpiperidin-4-yl)-3-fluorobenzamide
CID 110823002
3-fluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557444
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-3-fluorobenzamide
CID 108562648
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
3-fluoro-N-[[1-(2-oxoethyl)piperidin-4-yl]methyl]benzamide
CID 134423135
N-benzyl-4-[(3-fluorobenzoyl)amino]piperidine-1-carboxamide
CID 24792699

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The IUPAC name of 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide (CID 91938316) is 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide is C=CCN1CCC(NC(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The InChIKey is YMDJZYNKJCSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-2-8-18-9-6-14(7-10-18)17-15(19)12-4-3-5-13(16)11-12/h2-5,11,14H,1,6-10H2,(H,17,19).
What are the key properties of 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide has a molecular weight of 262.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide is sourced from PubChem (CID 91938316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).