4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide

C14H21N3O2 — CID 89186292

IUPAC4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCN(C)C2)ccc1N
InChIInChI=1S/C14H21N3O2/c1-17-7-3-4-11(9-17)16-14(18)10-5-6-12(15)13(8-10)19-2/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNRKSVGGBTAALPO-NSHDSACASA-N
MW263.34 g/mol
LogP1.10
Rot. Bonds3

About 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide

4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide (PubChem CID 89186292) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
PubChem CID89186292
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
SMILESCOc1cc(C(=O)N[C@H]2CCCN(C)C2)ccc1N
InChIInChI=1S/C14H21N3O2/c1-17-7-3-4-11(9-17)16-14(18)10-5-6-12(15)13(8-10)19-2/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNRKSVGGBTAALPO-NSHDSACASA-N
XLogP1.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide?
The IUPAC name of 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide (CID 89186292) is 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide is COc1cc(C(=O)N[C@H]2CCCN(C)C2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide?
The InChIKey is NRKSVGGBTAALPO-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-7-3-4-11(9-17)16-14(18)10-5-6-12(15)13(8-10)19-2/h5-6,8,11H,3-4,7,9,15H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide?
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide is sourced from PubChem (CID 89186292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).