1-piperidin-1-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

C25H35N7O3 — CID 146070797

IUPAC1-piperidin-1-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
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N2CCCCC2)o1
InChIInChI=1S/C25H35N7O3/c1-18(2)22-28-29-23(35-22)20-14-25(16-32(20)15-21(33)30-10-4-3-5-11-30)7-12-31(13-8-25)24(34)19-6-9-26-17-27-19/h6,9,17-18,20H,3-5,7-8,10-16H2,1-2H3
InChIKeyWAESRKCASGVNSE-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.66
Rot. Bonds5

About 1-piperidin-1-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

1-piperidin-1-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 (PubChem CID 146070797) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-piperidin-1-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.

Molecular Properties

Compound Name1-piperidin-1-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
PubChem CID146070797
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC Name1-piperidin-1-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
SMILESCC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N2CCCCC2)o1
InChIInChI=1S/C25H35N7O3/c1-18(2)22-28-29-23(35-22)20-14-25(16-32(20)15-21(33)30-10-4-3-5-11-30)7-12-31(13-8-25)24(34)19-6-9-26-17-27-19/h6,9,17-18,20H,3-5,7-8,10-16H2,1-2H3
InChIKeyWAESRKCASGVNSE-UHFFFAOYSA-N
XLogP2.66
TPSA108.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-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?
The IUPAC name of 1-piperidin-1-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 146070797) is 1-piperidin-1-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.
What is the SMILES notation for 1-piperidin-1-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?
The canonical SMILES for 1-piperidin-1-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 is CC(C)c1nnc(C2CC3(CCN(C(=O)c4ccncn4)CC3)CN2CC(=O)N2CCCCC2)o1.
What is the InChIKey of 1-piperidin-1-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?
The InChIKey is WAESRKCASGVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-18(2)22-28-29-23(35-22)20-14-25(16-32(20)15-21(33)30-10-4-3-5-11-30)7-12-31(13-8-25)24(34)19-6-9-26-17-27-19/h6,9,17-18,20H,3-5,7-8,10-16H2,1-2H3.
What are the key properties of 1-piperidin-1-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?
1-piperidin-1-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 has a molecular weight of 481.60 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-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 is sourced from PubChem (CID 146070797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).