N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide

C22H26FN3O2 — CID 24794247

IUPACN-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide
SMILESCc1ccc(C(=O)N2CCCC(CCC(=O)NCc3ccccc3F)C2)cn1
InChIInChI=1S/C22H26FN3O2/c1-16-8-10-19(14-24-16)22(28)26-12-4-5-17(15-26)9-11-21(27)25-13-18-6-2-3-7-20(18)23/h2-3,6-8,10,14,17H,4-5,9,11-13,15H2,1H3,(H,25,27)
InChIKeyWAUHDEBNUDMDFW-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.48
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 24794247) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID24794247
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide
SMILESCc1ccc(C(=O)N2CCCC(CCC(=O)NCc3ccccc3F)C2)cn1
InChIInChI=1S/C22H26FN3O2/c1-16-8-10-19(14-24-16)22(28)26-12-4-5-17(15-26)9-11-21(27)25-13-18-6-2-3-7-20(18)23/h2-3,6-8,10,14,17H,4-5,9,11-13,15H2,1H3,(H,25,27)
InChIKeyWAUHDEBNUDMDFW-UHFFFAOYSA-N
XLogP3.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide (CID 24794247) is N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide is Cc1ccc(C(=O)N2CCCC(CCC(=O)NCc3ccccc3F)C2)cn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is WAUHDEBNUDMDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-8-10-19(14-24-16)22(28)26-12-4-5-17(15-26)9-11-21(27)25-13-18-6-2-3-7-20(18)23/h2-3,6-8,10,14,17H,4-5,9,11-13,15H2,1H3,(H,25,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 24794247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).