N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide

C17H24FN3O2 — CID 95197793

IUPACN'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
SMILESCCCN1CCC[C@H](CNC(=O)C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-8-21-9-4-5-13(12-21)11-19-16(22)17(23)20-15-7-3-6-14(18)10-15/h3,6-7,10,13H,2,4-5,8-9,11-12H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyZCYFWNCDHXJDJV-CYBMUJFWSA-N
MW321.40 g/mol
LogP2.00
Rot. Bonds5

About N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide

N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide (PubChem CID 95197793) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
PubChem CID95197793
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide
SMILESCCCN1CCC[C@H](CNC(=O)C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C17H24FN3O2/c1-2-8-21-9-4-5-13(12-21)11-19-16(22)17(23)20-15-7-3-6-14(18)10-15/h3,6-7,10,13H,2,4-5,8-9,11-12H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeyZCYFWNCDHXJDJV-CYBMUJFWSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
CID 60614622
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
1-[[1-(2-amino-2-methylpropyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea;hydrochloride
CID 120848105
1-(3-fluorophenyl)-3-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]urea
CID 95249817
1-(3-fluorophenyl)-3-[[1-[2-(2-phenoxyethoxy)ethyl]piperidin-3-yl]methyl]urea
CID 86904453
1-(3-fluorophenyl)-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]urea
CID 95154909
1-(4-fluorophenyl)-3-[[(3R)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94197353
(2R)-2-[(3R)-3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidin-1-yl]propanamide
CID 95144992
1-(3-fluorophenyl)-3-[[1-[2-(methylamino)acetyl]piperidin-3-yl]methyl]urea;hydrochloride
CID 119761796
N'-(3,4-dichlorophenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]oxamide
CID 95350092
1-(2,4-difluorophenyl)-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 94503931
N-[3-[3-[[(3-fluorophenyl)carbamoylamino]methyl]piperidine-1-carbonyl]phenyl]propanamide
CID 56504192

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide?
The IUPAC name of N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide (CID 95197793) is N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide.
What is the SMILES notation for N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide?
The canonical SMILES for N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide is CCCN1CCC[C@H](CNC(=O)C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide?
The InChIKey is ZCYFWNCDHXJDJV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-2-8-21-9-4-5-13(12-21)11-19-16(22)17(23)20-15-7-3-6-14(18)10-15/h3,6-7,10,13H,2,4-5,8-9,11-12H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide?
N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide has a molecular weight of 321.40 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N-[[(3R)-1-propylpiperidin-3-yl]methyl]oxamide is sourced from PubChem (CID 95197793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).