N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide

C17H26FN3O2 — CID 146402407

IUPACN-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(C)(C)C(=O)N[C@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C17H26FN3O2/c1-12-6-5-8-19-15(12)23-11-17(2,3)16(22)20-14-7-9-21(4)10-13(14)18/h5-6,8,13-14H,7,9-11H2,1-4H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyQTQBORRYSAGFHN-KBPBESRZSA-N
MW323.41 g/mol
LogP1.95
Rot. Bonds5

About N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide

N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide (PubChem CID 146402407) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
PubChem CID146402407
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC NameN-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide
SMILESCc1cccnc1OCC(C)(C)C(=O)N[C@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C17H26FN3O2/c1-12-6-5-8-19-15(12)23-11-17(2,3)16(22)20-14-7-9-21(4)10-13(14)18/h5-6,8,13-14H,7,9-11H2,1-4H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyQTQBORRYSAGFHN-KBPBESRZSA-N
XLogP1.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The IUPAC name of N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide (CID 146402407) is N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide.
What is the SMILES notation for N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The canonical SMILES for N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide is Cc1cccnc1OCC(C)(C)C(=O)N[C@H]1CCN(C)C[C@@H]1F.
What is the InChIKey of N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
The InChIKey is QTQBORRYSAGFHN-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-12-6-5-8-19-15(12)23-11-17(2,3)16(22)20-14-7-9-21(4)10-13(14)18/h5-6,8,13-14H,7,9-11H2,1-4H3,(H,20,22)/t13-,14-/m0/s1.
What are the key properties of N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide?
N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide has a molecular weight of 323.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[(3-methyl-2-pyridinyl)oxy]propanamide is sourced from PubChem (CID 146402407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).