(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide

C15H22FN3O — CID 119883938

IUPAC(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)[C@@H](C)N)C1
InChIInChI=1S/C15H22FN3O/c1-10-8-12(16)5-6-14(10)19-7-3-4-13(9-19)18-15(20)11(2)17/h5-6,8,11,13H,3-4,7,9,17H2,1-2H3,(H,18,20)/t11-,13?/m1/s1
InChIKeyNLRBWNZCDCQEIT-JTDNENJMSA-N
MW279.36 g/mol
LogP1.57
Rot. Bonds3

About (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide

(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide (PubChem CID 119883938) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
PubChem CID119883938
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide
SMILESCc1cc(F)ccc1N1CCCC(NC(=O)[C@@H](C)N)C1
InChIInChI=1S/C15H22FN3O/c1-10-8-12(16)5-6-14(10)19-7-3-4-13(9-19)18-15(20)11(2)17/h5-6,8,11,13H,3-4,7,9,17H2,1-2H3,(H,18,20)/t11-,13?/m1/s1
InChIKeyNLRBWNZCDCQEIT-JTDNENJMSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide (CID 119883938) is (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide is Cc1cc(F)ccc1N1CCCC(NC(=O)[C@@H](C)N)C1.
What is the InChIKey of (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide?
The InChIKey is NLRBWNZCDCQEIT-JTDNENJMSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-8-12(16)5-6-14(10)19-7-3-4-13(9-19)18-15(20)11(2)17/h5-6,8,11,13H,3-4,7,9,17H2,1-2H3,(H,18,20)/t11-,13?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide?
(2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide has a molecular weight of 279.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 119883938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).