1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one

C22H29FN2O3 — CID 24791088

IUPAC1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C22H29FN2O3/c23-17-4-3-7-20(14-17)28-19-10-12-24(13-11-19)22(27)16-8-9-21(26)25(15-16)18-5-1-2-6-18/h3-4,7,14,16,18-19H,1-2,5-6,8-13,15H2
InChIKeyHGLCIAYEZRMEDB-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.38
Rot. Bonds4

About 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one

1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24791088) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24791088
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC Name1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCC(=O)N(C2CCCC2)C1)N1CCC(Oc2cccc(F)c2)CC1
InChIInChI=1S/C22H29FN2O3/c23-17-4-3-7-20(14-17)28-19-10-12-24(13-11-19)22(27)16-8-9-21(26)25(15-16)18-5-1-2-6-18/h3-4,7,14,16,18-19H,1-2,5-6,8-13,15H2
InChIKeyHGLCIAYEZRMEDB-UHFFFAOYSA-N
XLogP3.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one (CID 24791088) is 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one is O=C(C1CCC(=O)N(C2CCCC2)C1)N1CCC(Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is HGLCIAYEZRMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c23-17-4-3-7-20(14-17)28-19-10-12-24(13-11-19)22(27)16-8-9-21(26)25(15-16)18-5-1-2-6-18/h3-4,7,14,16,18-19H,1-2,5-6,8-13,15H2.
What are the key properties of 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one?
1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 388.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-[4-(3-fluorophenoxy)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24791088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).