4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide

C12H16FN3O — CID 89423886

IUPAC4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
SMILESNc1ccc(C(=O)N[C@@H]2CCCNC2)cc1F
InChIInChI=1S/C12H16FN3O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7,14H2,(H,16,17)/t9-/m1/s1
InChIKeyRTPYGXXCXNLHIL-SECBINFHSA-N
MW237.28 g/mol
LogP0.89
Rot. Bonds2

About 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide

4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 89423886) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID89423886
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
SMILESNc1ccc(C(=O)N[C@@H]2CCCNC2)cc1F
InChIInChI=1S/C12H16FN3O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7,14H2,(H,16,17)/t9-/m1/s1
InChIKeyRTPYGXXCXNLHIL-SECBINFHSA-N
XLogP0.89
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclooctyl-3-fluorobenzamide
CID 62679448
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
3,4,5-trifluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429053
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
N-(azepan-4-yl)-4-bromo-3-fluorobenzamide
CID 105059141
N-(azepan-4-yl)-4-chloro-3-fluorobenzamide
CID 107990996
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
N-piperidin-3-ylbenzamide
CID 22017045
4-amino-N-(4-carbamoylcyclohexyl)-3-fluorobenzamide
CID 62680438
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide (CID 89423886) is 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide is Nc1ccc(C(=O)N[C@@H]2CCCNC2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is RTPYGXXCXNLHIL-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-6-8(3-4-11(10)14)12(17)16-9-2-1-5-15-7-9/h3-4,6,9,15H,1-2,5,7,14H2,(H,16,17)/t9-/m1/s1.
What are the key properties of 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide?
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 237.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 89423886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).