(5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C23H26FN3O3 — CID 3235536

IUPAC(5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cccc(F)c4)C3)C2)cc1
InChIInChI=1S/C23H26FN3O3/c1-30-20-8-6-19(7-9-20)25-22(29)27-13-11-23(16-27)10-3-12-26(15-23)21(28)17-4-2-5-18(24)14-17/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeySUVAHELZIMFWTB-HSZRJFAPSA-N
MW411.48 g/mol
LogP3.99
Rot. Bonds3

About (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3235536) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3235536
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name(5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cccc(F)c4)C3)C2)cc1
InChIInChI=1S/C23H26FN3O3/c1-30-20-8-6-19(7-9-20)25-22(29)27-13-11-23(16-27)10-3-12-26(15-23)21(28)17-4-2-5-18(24)14-17/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,25,29)/t23-/m1/s1
InChIKeySUVAHELZIMFWTB-HSZRJFAPSA-N
XLogP3.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Etomidoline
CID 3309
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71522732
8-(2-ethylbutanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566538
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71679347
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 71679348
8-(cyclohexanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72374647
8-(2-cyclopropylacetyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72374760
8-(2,2-dimethylpropanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72374761
8-pentanoyl-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72374762

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3235536) is (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(NC(=O)N2CC[C@@]3(CCCN(C(=O)c4cccc(F)c4)C3)C2)cc1.
What is the InChIKey of (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is SUVAHELZIMFWTB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-30-20-8-6-19(7-9-20)25-22(29)27-13-11-23(16-27)10-3-12-26(15-23)21(28)17-4-2-5-18(24)14-17/h2,4-9,14H,3,10-13,15-16H2,1H3,(H,25,29)/t23-/m1/s1.
What are the key properties of (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-fluorobenzoyl)-N-(4-methoxyphenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3235536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).