4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide

C13H18FN3O2 — CID 89192588

IUPAC4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCNC2)c(F)cc1N
InChIInChI=1S/C13H18FN3O2/c1-19-12-5-9(10(14)6-11(12)15)13(18)17-8-3-2-4-16-7-8/h5-6,8,16H,2-4,7,15H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyZHUGXTPNZOBOMF-MRVPVSSYSA-N
MW267.30 g/mol
LogP0.90
Rot. Bonds3

About 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide

4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 89192588) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID89192588
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCCNC2)c(F)cc1N
InChIInChI=1S/C13H18FN3O2/c1-19-12-5-9(10(14)6-11(12)15)13(18)17-8-3-2-4-16-7-8/h5-6,8,16H,2-4,7,15H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyZHUGXTPNZOBOMF-MRVPVSSYSA-N
XLogP0.90
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
4-chloro-2,5-difluoro-N-piperidin-3-ylbenzamide
CID 82771489
4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
CID 89192526
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
4-amino-3-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 89423886
5-acetamido-2-fluoro-N-piperidin-3-ylbenzamide
CID 119424734
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555478

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide (CID 89192588) is 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide is COc1cc(C(=O)N[C@@H]2CCCNC2)c(F)cc1N.
What is the InChIKey of 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is ZHUGXTPNZOBOMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-19-12-5-9(10(14)6-11(12)15)13(18)17-8-3-2-4-16-7-8/h5-6,8,16H,2-4,7,15H2,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide?
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 267.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 89192588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).