2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide

C25H41N5O3 — CID 146067273

IUPAC2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)CCC4CCCC4)CC3)CN2CC(=O)N(C)C)o1
InChIInChI=1S/C25H41N5O3/c1-18(2)23-26-27-24(33-23)20-15-25(17-30(20)16-22(32)28(3)4)11-13-29(14-12-25)21(31)10-9-19-7-5-6-8-19/h18-20H,5-17H2,1-4H3
InChIKeyPKTHASCQDKKXGE-UHFFFAOYSA-N
MW459.64 g/mol
LogP3.61
Rot. Bonds7

About 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide

2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide (PubChem CID 146067273) has the molecular formula C25H41N5O3 and a molecular weight of 459.64 g/mol. Its IUPAC name is 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
PubChem CID146067273
Molecular FormulaC25H41N5O3
Molecular Weight459.64 g/mol
Exact Mass459.32
IUPAC Name2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)CCC4CCCC4)CC3)CN2CC(=O)N(C)C)o1
InChIInChI=1S/C25H41N5O3/c1-18(2)23-26-27-24(33-23)20-15-25(17-30(20)16-22(32)28(3)4)11-13-29(14-12-25)21(31)10-9-19-7-5-6-8-19/h18-20H,5-17H2,1-4H3
InChIKeyPKTHASCQDKKXGE-UHFFFAOYSA-N
XLogP3.61
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
CID 146068073
2-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 146067279
2-[8-(2-cyclohexylacetyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-cyclopropylacetamide
CID 146068087
N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146067271
N-cyclopropyl-2-[8-(3-methylbutanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146068068
2-[8-[2-(4-methylpyrazol-1-yl)acetyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone
CID 146070806
N,N-dimethyl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(quinolin-8-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146067220
2-[8-(1,3-dimethylpyrazole-4-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-piperidin-1-ylethanone
CID 146070809
4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decane-8-carbonyl]-1H-pyridin-2-one
CID 146067216
1-morpholin-4-yl-2-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-8-(pyrimidine-4-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 146070820
3-cyclopentyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 91911324
N-cyclopropyl-2-[8-(3-methylthiophene-2-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146067289

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide (CID 146067273) is 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide is CC(C)c1nnc(C2CC3(CCN(C(=O)CCC4CCCC4)CC3)CN2CC(=O)N(C)C)o1.
What is the InChIKey of 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
The InChIKey is PKTHASCQDKKXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O3/c1-18(2)23-26-27-24(33-23)20-15-25(17-30(20)16-22(32)28(3)4)11-13-29(14-12-25)21(31)10-9-19-7-5-6-8-19/h18-20H,5-17H2,1-4H3.
What are the key properties of 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide?
2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide has a molecular weight of 459.64 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-cyclopentylpropanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 146067273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).