N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide

C17H25FN2O — CID 112542582

IUPACN-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide
SMILESCCN1CC(NC(=O)C(C)C)CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O/c1-4-20-10-14(13-6-5-7-15(18)8-13)9-16(11-20)19-17(21)12(2)3/h5-8,12,14,16H,4,9-11H2,1-3H3,(H,19,21)
InChIKeyGKQUHKRYQYOYNR-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.78
Rot. Bonds4

About N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide

N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide (PubChem CID 112542582) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide
PubChem CID112542582
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide
SMILESCCN1CC(NC(=O)C(C)C)CC(c2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O/c1-4-20-10-14(13-6-5-7-15(18)8-13)9-16(11-20)19-17(21)12(2)3/h5-8,12,14,16H,4,9-11H2,1-3H3,(H,19,21)
InChIKeyGKQUHKRYQYOYNR-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide (CID 112542582) is N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide is CCN1CC(NC(=O)C(C)C)CC(c2cccc(F)c2)C1.
What is the InChIKey of N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide?
The InChIKey is GKQUHKRYQYOYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-4-20-10-14(13-6-5-7-15(18)8-13)9-16(11-20)19-17(21)12(2)3/h5-8,12,14,16H,4,9-11H2,1-3H3,(H,19,21).
What are the key properties of N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide?
N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(3-fluorophenyl)piperidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 112542582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).