2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide

C19H29FN2O2 — CID 86990889

IUPAC2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCCN(CCCCNC(=O)C(C)Oc2cccc(F)c2)C1
InChIInChI=1S/C19H29FN2O2/c1-15-7-6-12-22(14-15)11-4-3-10-21-19(23)16(2)24-18-9-5-8-17(20)13-18/h5,8-9,13,15-16H,3-4,6-7,10-12,14H2,1-2H3,(H,21,23)
InChIKeyPNWSFKMBDUGKFL-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.22
Rot. Bonds8

About 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide

2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide (PubChem CID 86990889) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
PubChem CID86990889
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
SMILESCC1CCCN(CCCCNC(=O)C(C)Oc2cccc(F)c2)C1
InChIInChI=1S/C19H29FN2O2/c1-15-7-6-12-22(14-15)11-4-3-10-21-19(23)16(2)24-18-9-5-8-17(20)13-18/h5,8-9,13,15-16H,3-4,6-7,10-12,14H2,1-2H3,(H,21,23)
InChIKeyPNWSFKMBDUGKFL-UHFFFAOYSA-N
XLogP3.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 125057183
2,2-difluoro-N-[4-[(3S)-3-methylpiperidin-1-yl]butyl]acetamide
CID 100701582
(2S)-2-(3-chlorophenoxy)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]propanamide
CID 99952072
3-fluoro-N-[2-[3-(3-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 78878509
2-(3-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446147
1-[2-(3-fluorophenyl)ethyl]-2-methyl-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111396584
(2S)-2-(3-fluorophenoxy)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 51729397
3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 86990783
N-[4-(3-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115800
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
CID 86990789
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide (CID 86990889) is 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide is CC1CCCN(CCCCNC(=O)C(C)Oc2cccc(F)c2)C1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide?
The InChIKey is PNWSFKMBDUGKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-15-7-6-12-22(14-15)11-4-3-10-21-19(23)16(2)24-18-9-5-8-17(20)13-18/h5,8-9,13,15-16H,3-4,6-7,10-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide?
2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide has a molecular weight of 336.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide is sourced from PubChem (CID 86990889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).