N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C22H31FN4O3 — CID 91911312

IUPACN-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCN1CC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C22H31FN4O3/c1-25-16-22(14-19(25)20(28)26-10-12-30-13-11-26)6-8-27(9-7-22)21(29)24-15-17-2-4-18(23)5-3-17/h2-5,19H,6-16H2,1H3,(H,24,29)
InChIKeyHBJAFOLDXNDZOS-UHFFFAOYSA-N
MW418.51 g/mol
LogP1.68
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 91911312) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID91911312
Molecular FormulaC22H31FN4O3
Molecular Weight418.51 g/mol
Exact Mass418.24
IUPAC NameN-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCN1CC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)CC1C(=O)N1CCOCC1
InChIInChI=1S/C22H31FN4O3/c1-25-16-22(14-19(25)20(28)26-10-12-30-13-11-26)6-8-27(9-7-22)21(29)24-15-17-2-4-18(23)5-3-17/h2-5,19H,6-16H2,1H3,(H,24,29)
InChIKeyHBJAFOLDXNDZOS-UHFFFAOYSA-N
XLogP1.68
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide 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-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 91911312) is N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is CN1CC2(CCN(C(=O)NCc3ccc(F)cc3)CC2)CC1C(=O)N1CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is HBJAFOLDXNDZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O3/c1-25-16-22(14-19(25)20(28)26-10-12-30-13-11-26)6-8-27(9-7-22)21(29)24-15-17-2-4-18(23)5-3-17/h2-5,19H,6-16H2,1H3,(H,24,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-methyl-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 91911312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).