(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide

C18H25FN2O3 — CID 95158709

IUPAC(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCCCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O3/c1-2-17(22)21-11-3-5-14(13-21)18(23)20-10-4-12-24-16-8-6-15(19)7-9-16/h6-9,14H,2-5,10-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyRAKNBIUZDXOUQN-AWEZNQCLSA-N
MW336.41 g/mol
LogP2.36
Rot. Bonds7

About (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide

(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide (PubChem CID 95158709) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
PubChem CID95158709
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
SMILESCCC(=O)N1CCC[C@H](C(=O)NCCCOc2ccc(F)cc2)C1
InChIInChI=1S/C18H25FN2O3/c1-2-17(22)21-11-3-5-14(13-21)18(23)20-10-4-12-24-16-8-6-15(19)7-9-16/h6-9,14H,2-5,10-13H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyRAKNBIUZDXOUQN-AWEZNQCLSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.36
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

1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
ethyl 1-[N-[3-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993602
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119916756
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide
CID 119479382
1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 133239624
N-(2-aminoethyl)-1-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916755
N-(2-aminoethyl)-1-[4-(4-methoxyphenoxy)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479381
(3S)-3-N-[2-(3,4-difluorophenoxy)ethyl]piperidine-1,3-dicarboxamide
CID 95614768
1-[2-(4-bromophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403328
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 47989754
methyl 1-[2-(4-fluorophenoxy)acetyl]piperidine-3-carboxylate
CID 78918965
(3R)-3-N-[2-(4-ethoxyphenoxy)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8530719

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide (CID 95158709) is (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide is CCC(=O)N1CCC[C@H](C(=O)NCCCOc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide?
The InChIKey is RAKNBIUZDXOUQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-2-17(22)21-11-3-5-14(13-21)18(23)20-10-4-12-24-16-8-6-15(19)7-9-16/h6-9,14H,2-5,10-13H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide?
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide is sourced from PubChem (CID 95158709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).