N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide

C26H36FN3O3 — CID 58653426

IUPACN-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(F)c1)C1CCCC1
InChIInChI=1S/C26H36FN3O3/c27-22-16-19(28-24(32)18-4-1-2-5-18)6-11-23(22)29-14-3-12-26(17-29)13-15-30(25(26)33)20-7-9-21(31)10-8-20/h6,11,16,18,20-21,31H,1-5,7-10,12-15,17H2,(H,28,32)/t20?,21?,26-/m1/s1
InChIKeyVAMLZHDXQHTCHM-VGMBQNGWSA-N
MW457.59 g/mol
LogP4.08
Rot. Bonds4

About N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide

N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide (PubChem CID 58653426) has the molecular formula C26H36FN3O3 and a molecular weight of 457.59 g/mol. Its IUPAC name is N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide
PubChem CID58653426
Molecular FormulaC26H36FN3O3
Molecular Weight457.59 g/mol
Exact Mass457.27
IUPAC NameN-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide
SMILESO=C(Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(F)c1)C1CCCC1
InChIInChI=1S/C26H36FN3O3/c27-22-16-19(28-24(32)18-4-1-2-5-18)6-11-23(22)29-14-3-12-26(17-29)13-15-30(25(26)33)20-7-9-21(31)10-8-20/h6,11,16,18,20-21,31H,1-5,7-10,12-15,17H2,(H,28,32)/t20?,21?,26-/m1/s1
InChIKeyVAMLZHDXQHTCHM-VGMBQNGWSA-N
XLogP4.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.59
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide 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 N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide (CID 58653426) is N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide is O=C(Nc1ccc(N2CCC[C@@]3(CCN(C4CCC(O)CC4)C3=O)C2)c(F)c1)C1CCCC1.
What is the InChIKey of N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide?
The InChIKey is VAMLZHDXQHTCHM-VGMBQNGWSA-N. The full InChI is InChI=1S/C26H36FN3O3/c27-22-16-19(28-24(32)18-4-1-2-5-18)6-11-23(22)29-14-3-12-26(17-29)13-15-30(25(26)33)20-7-9-21(31)10-8-20/h6,11,16,18,20-21,31H,1-5,7-10,12-15,17H2,(H,28,32)/t20?,21?,26-/m1/s1.
What are the key properties of N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide?
N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide has a molecular weight of 457.59 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 58653426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).