4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide

C17H25FN2O2 — CID 122566406

IUPAC4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
SMILESCCCc1ccc(OCCNC(=O)N2CCC(F)CC2)cc1
InChIInChI=1S/C17H25FN2O2/c1-2-3-14-4-6-16(7-5-14)22-13-10-19-17(21)20-11-8-15(18)9-12-20/h4-7,15H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyNJZVUQDBZFTDKN-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.16
Rot. Bonds6

About 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide

4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide (PubChem CID 122566406) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
PubChem CID122566406
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide
SMILESCCCc1ccc(OCCNC(=O)N2CCC(F)CC2)cc1
InChIInChI=1S/C17H25FN2O2/c1-2-3-14-4-6-16(7-5-14)22-13-10-19-17(21)20-11-8-15(18)9-12-20/h4-7,15H,2-3,8-13H2,1H3,(H,19,21)
InChIKeyNJZVUQDBZFTDKN-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-4-acetyl-6-hydroxy-N-[2-(4-propylphenoxy)ethyl]-1,4-diazepane-1-carboxamide
CID 125439285
(9aS)-6,9-dioxo-N-[2-(4-propylphenoxy)ethyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 125442979
ethyl 4-[2-(4-ethylphenoxy)ethylcarbamoyl]piperazine-1-carboxylate
CID 112972060
N-[2-(4-chlorophenoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111437978
1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
CID 70468541
N-[2-(4-ethylphenoxy)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 112972051
N-(cyclopropylmethyl)-2-(4-propylphenoxy)ethanamine
CID 62583832
N-[2-(4-chlorophenoxy)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895069
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324
N-[2-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
(3R)-N-[2-(4-cyanophenoxy)ethyl]-3-methylpyrrolidine-1-carboxamide
CID 97023654
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide (CID 122566406) is 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide is CCCc1ccc(OCCNC(=O)N2CCC(F)CC2)cc1.
What is the InChIKey of 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide?
The InChIKey is NJZVUQDBZFTDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-2-3-14-4-6-16(7-5-14)22-13-10-19-17(21)20-11-8-15(18)9-12-20/h4-7,15H,2-3,8-13H2,1H3,(H,19,21).
What are the key properties of 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide?
4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-propylphenoxy)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 122566406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).