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

C26H39N7O3 — CID 146070809

IUPAC2-[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
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N1CCCCC1)C2
InChIInChI=1S/C26H39N7O3/c1-18(2)23-27-28-24(36-23)21-14-26(17-33(21)16-22(34)31-10-6-5-7-11-31)8-12-32(13-9-26)25(35)20-15-30(4)29-19(20)3/h15,18,21H,5-14,16-17H2,1-4H3
InChIKeyUJMMCGFKKBHZOT-UHFFFAOYSA-N
MW497.64 g/mol
LogP2.92
Rot. Bonds5

About 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

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 (PubChem CID 146070809) has the molecular formula C26H39N7O3 and a molecular weight of 497.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID146070809
Molecular FormulaC26H39N7O3
Molecular Weight497.64 g/mol
Exact Mass497.31
IUPAC Name2-[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
SMILESCc1nn(C)cc1C(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N1CCCCC1)C2
InChIInChI=1S/C26H39N7O3/c1-18(2)23-27-28-24(36-23)21-14-26(17-33(21)16-22(34)31-10-6-5-7-11-31)8-12-32(13-9-26)25(35)20-15-30(4)29-19(20)3/h15,18,21H,5-14,16-17H2,1-4H3
InChIKeyUJMMCGFKKBHZOT-UHFFFAOYSA-N
XLogP2.92
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
2-[8-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-1-morpholin-4-ylethanone
CID 146070875
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
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
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
1-morpholin-4-yl-2-[8-(3-phenylpropyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 146070821
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-(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
N-cyclopropyl-2-[8-(2,4-difluorobenzoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146068080
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
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nn(C)cc1C(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N1CCCCC1)C2.
What is the InChIKey of 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?
The InChIKey is UJMMCGFKKBHZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O3/c1-18(2)23-27-28-24(36-23)21-14-26(17-33(21)16-22(34)31-10-6-5-7-11-31)8-12-32(13-9-26)25(35)20-15-30(4)29-19(20)3/h15,18,21H,5-14,16-17H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 497.64 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146070809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).