1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one

C23H32FN3O2 — CID 24793940

IUPAC1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C23H32FN3O2/c24-20-7-9-21(10-8-20)25-12-14-26(15-13-25)23(29)19-6-11-22(28)27(17-19)16-18-4-2-1-3-5-18/h7-10,18-19H,1-6,11-17H2
InChIKeyNJGKQFSRTQDFBZ-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.29
Rot. Bonds4

About 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one

1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 24793940) has the molecular formula C23H32FN3O2 and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID24793940
Molecular FormulaC23H32FN3O2
Molecular Weight401.53 g/mol
Exact Mass401.25
IUPAC Name1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1CC1CCCCC1
InChIInChI=1S/C23H32FN3O2/c24-20-7-9-21(10-8-20)25-12-14-26(15-13-25)23(29)19-6-11-22(28)27(17-19)16-18-4-2-1-3-5-18/h7-10,18-19H,1-6,11-17H2
InChIKeyNJGKQFSRTQDFBZ-UHFFFAOYSA-N
XLogP3.29
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one (CID 24793940) is 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is NJGKQFSRTQDFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3O2/c24-20-7-9-21(10-8-20)25-12-14-26(15-13-25)23(29)19-6-11-22(28)27(17-19)16-18-4-2-1-3-5-18/h7-10,18-19H,1-6,11-17H2.
What are the key properties of 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one?
1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 401.53 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24793940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).