2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

C15H22FN3O — CID 61297426

IUPAC2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(N)C2)cc1F
InChIInChI=1S/C15H22FN3O/c1-11-4-5-12(7-14(11)16)8-18-15(20)10-19-6-2-3-13(17)9-19/h4-5,7,13H,2-3,6,8-10,17H2,1H3,(H,18,20)
InChIKeyZSFHIVZNQXVPRB-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.17
Rot. Bonds4

About 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide

2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (PubChem CID 61297426) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
PubChem CID61297426
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCCC(N)C2)cc1F
InChIInChI=1S/C15H22FN3O/c1-11-4-5-12(7-14(11)16)8-18-15(20)10-19-6-2-3-13(17)9-19/h4-5,7,13H,2-3,6,8-10,17H2,1H3,(H,18,20)
InChIKeyZSFHIVZNQXVPRB-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide (CID 61297426) is 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCCC(N)C2)cc1F.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
The InChIKey is ZSFHIVZNQXVPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-4-5-12(7-14(11)16)8-18-15(20)10-19-6-2-3-13(17)9-19/h4-5,7,13H,2-3,6,8-10,17H2,1H3,(H,18,20).
What are the key properties of 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide?
2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide has a molecular weight of 279.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 61297426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).