4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide

C18H26FN3O2 — CID 110822027

IUPAC4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(NC(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-11-20-18(24)22-12-9-15(10-13-22)21-17(23)8-7-14-5-3-4-6-16(14)19/h3-6,15H,2,7-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyOTPUEQOZHZILHV-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.46
Rot. Bonds6

About 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide

4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide (PubChem CID 110822027) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
PubChem CID110822027
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(NC(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-11-20-18(24)22-12-9-15(10-13-22)21-17(23)8-7-14-5-3-4-6-16(14)19/h3-6,15H,2,7-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyOTPUEQOZHZILHV-UHFFFAOYSA-N
XLogP2.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
methyl 4-[[2-(2-fluorophenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821770
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
ethyl 4-[[3-[(2-fluorophenyl)methylamino]-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108946231
3-(2-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]propanamide
CID 25377297
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide (CID 110822027) is 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(NC(=O)CCc2ccccc2F)CC1.
What is the InChIKey of 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide?
The InChIKey is OTPUEQOZHZILHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-2-11-20-18(24)22-12-9-15(10-13-22)21-17(23)8-7-14-5-3-4-6-16(14)19/h3-6,15H,2,7-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide?
4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluorophenyl)propanoylamino]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 110822027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).