N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide

C20H29FN2O2 — CID 12050260

IUPACN-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CC1)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-2-20(24)23(17-6-7-17)18-10-13-22(14-11-18)12-3-15-25-19-8-4-16(21)5-9-19/h4-5,8-9,17-18H,2-3,6-7,10-15H2,1H3
InChIKeyRFFNDOXANROJEP-UHFFFAOYSA-N
MW348.46 g/mol
LogP3.46
Rot. Bonds8

About N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide

N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide (PubChem CID 12050260) has the molecular formula C20H29FN2O2 and a molecular weight of 348.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide
PubChem CID12050260
Molecular FormulaC20H29FN2O2
Molecular Weight348.46 g/mol
Exact Mass348.22
IUPAC NameN-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide
SMILESCCC(=O)N(C1CC1)C1CCN(CCCOc2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O2/c1-2-20(24)23(17-6-7-17)18-10-13-22(14-11-18)12-3-15-25-19-8-4-16(21)5-9-19/h4-5,8-9,17-18H,2-3,6-7,10-15H2,1H3
InChIKeyRFFNDOXANROJEP-UHFFFAOYSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
1-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]ethanone
CID 14407097
N-[4-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propoxy]phenyl]acetamide
CID 14407113
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
4-[2-(4-fluorophenoxy)ethyl]-1-pentylpiperidine
CID 54415158
2-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]ethanol
CID 139776336
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide (CID 12050260) is N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide is CCC(=O)N(C1CC1)C1CCN(CCCOc2ccc(F)cc2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide?
The InChIKey is RFFNDOXANROJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O2/c1-2-20(24)23(17-6-7-17)18-10-13-22(14-11-18)12-3-15-25-19-8-4-16(21)5-9-19/h4-5,8-9,17-18H,2-3,6-7,10-15H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide?
N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide has a molecular weight of 348.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 12050260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).