1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone

C27H30N4O3 — CID 164643146

IUPAC1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCc1nnc([C@H]2CN(C(=O)Cc3ccccc3)CC23CCN(C(=O)Cc2ccccc2)CC3)o1
InChIInChI=1S/C27H30N4O3/c1-20-28-29-26(34-20)23-18-31(25(33)17-22-10-6-3-7-11-22)19-27(23)12-14-30(15-13-27)24(32)16-21-8-4-2-5-9-21/h2-11,23H,12-19H2,1H3/t23-/m1/s1
InChIKeyOKOUJBKBYKAUQM-HSZRJFAPSA-N
MW458.56 g/mol
LogP3.40
Rot. Bonds5

About 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone

1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone (PubChem CID 164643146) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
PubChem CID164643146
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
SMILESCc1nnc([C@H]2CN(C(=O)Cc3ccccc3)CC23CCN(C(=O)Cc2ccccc2)CC3)o1
InChIInChI=1S/C27H30N4O3/c1-20-28-29-26(34-20)23-18-31(25(33)17-22-10-6-3-7-11-22)19-27(23)12-14-30(15-13-27)24(32)16-21-8-4-2-5-9-21/h2-11,23H,12-19H2,1H3/t23-/m1/s1
InChIKeyOKOUJBKBYKAUQM-HSZRJFAPSA-N
XLogP3.40
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The IUPAC name of 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone (CID 164643146) is 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The canonical SMILES for 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone is Cc1nnc([C@H]2CN(C(=O)Cc3ccccc3)CC23CCN(C(=O)Cc2ccccc2)CC3)o1.
What is the InChIKey of 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
The InChIKey is OKOUJBKBYKAUQM-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-20-28-29-26(34-20)23-18-31(25(33)17-22-10-6-3-7-11-22)19-27(23)12-14-30(15-13-27)24(32)16-21-8-4-2-5-9-21/h2-11,23H,12-19H2,1H3/t23-/m1/s1.
What are the key properties of 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone?
1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone has a molecular weight of 458.56 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylacetyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone is sourced from PubChem (CID 164643146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).