9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

C25H35FN4O3 — CID 11662551

IUPAC9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCN(c2ccccc2F)CC1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C25H35FN4O3/c26-21-4-1-2-5-22(21)27-14-16-28(17-15-27)24(33)29-12-3-10-25(18-29)11-13-30(23(25)32)19-6-8-20(31)9-7-19/h1-2,4-5,19-20,31H,3,6-18H2
InChIKeyRKFQHVCDFDJBPW-UHFFFAOYSA-N
MW458.58 g/mol
LogP2.69
Rot. Bonds2

About 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one

9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 11662551) has the molecular formula C25H35FN4O3 and a molecular weight of 458.58 g/mol. Its IUPAC name is 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID11662551
Molecular FormulaC25H35FN4O3
Molecular Weight458.58 g/mol
Exact Mass458.27
IUPAC Name9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(N1CCN(c2ccccc2F)CC1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1
InChIInChI=1S/C25H35FN4O3/c26-21-4-1-2-5-22(21)27-14-16-28(17-15-27)24(33)29-12-3-10-25(18-29)11-13-30(23(25)32)19-6-8-20(31)9-7-19/h1-2,4-5,19-20,31H,3,6-18H2
InChIKeyRKFQHVCDFDJBPW-UHFFFAOYSA-N
XLogP2.69
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one (CID 11662551) is 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is O=C(N1CCN(c2ccccc2F)CC1)N1CCCC2(CCN(C3CCC(O)CC3)C2=O)C1.
What is the InChIKey of 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RKFQHVCDFDJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35FN4O3/c26-21-4-1-2-5-22(21)27-14-16-28(17-15-27)24(33)29-12-3-10-25(18-29)11-13-30(23(25)32)19-6-8-20(31)9-7-19/h1-2,4-5,19-20,31H,3,6-18H2.
What are the key properties of 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one?
9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 458.58 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 11662551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).