(5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide

C23H27N3O3 — CID 3233201

IUPAC(5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4ccccc4)C3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-29-20-10-8-18(9-11-20)21(27)25-14-5-12-23(16-25)13-15-26(17-23)22(28)24-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,24,28)/t23-/m1/s1
InChIKeyAPHPCXSEDQGPHI-HSZRJFAPSA-N
MW393.49 g/mol
LogP3.86
Rot. Bonds3

About (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3233201) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3233201
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4ccccc4)C3)C2)cc1
InChIInChI=1S/C23H27N3O3/c1-29-20-10-8-18(9-11-20)21(27)25-14-5-12-23(16-25)13-15-26(17-23)22(28)24-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,24,28)/t23-/m1/s1
InChIKeyAPHPCXSEDQGPHI-HSZRJFAPSA-N
XLogP3.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Encainide
CID 48041
Encainide Hydrochloride
CID 48040
1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
CID 60196738
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
3,4-dihydro-1(2H)-quinolinyl(4-methoxyphenyl)methanone
CID 710667
1-(4-Ethoxybenzoyl)-4-phenylpiperazine
CID 710515
4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
8-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71522732
9-(2,6-difluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 71679348
8-(2-fluorobenzoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376132

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3233201) is (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide is COc1ccc(C(=O)N2CCC[C@@]3(CCN(C(=O)Nc4ccccc4)C3)C2)cc1.
What is the InChIKey of (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is APHPCXSEDQGPHI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-20-10-8-18(9-11-20)21(27)25-14-5-12-23(16-25)13-15-26(17-23)22(28)24-19-6-3-2-4-7-19/h2-4,6-11H,5,12-17H2,1H3,(H,24,28)/t23-/m1/s1.
What are the key properties of (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3233201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).