2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one

C20H29N3O3 — CID 97283695

IUPAC2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one
SMILESCc1cc([C@@H]2CCCCN2C(=O)CN2CC3(CCCCC3)CC2=O)no1
InChIInChI=1S/C20H29N3O3/c1-15-11-16(21-26-15)17-7-3-6-10-23(17)19(25)13-22-14-20(12-18(22)24)8-4-2-5-9-20/h11,17H,2-10,12-14H2,1H3/t17-/m0/s1
InChIKeyYFWKNQPCJDTOMK-KRWDZBQOSA-N
MW359.47 g/mol
LogP3.22
Rot. Bonds3

About 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one

2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one (PubChem CID 97283695) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one
PubChem CID97283695
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one
SMILESCc1cc([C@@H]2CCCCN2C(=O)CN2CC3(CCCCC3)CC2=O)no1
InChIInChI=1S/C20H29N3O3/c1-15-11-16(21-26-15)17-7-3-6-10-23(17)19(25)13-22-14-20(12-18(22)24)8-4-2-5-9-20/h11,17H,2-10,12-14H2,1H3/t17-/m0/s1
InChIKeyYFWKNQPCJDTOMK-KRWDZBQOSA-N
XLogP3.22
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538331
1-[3-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]azepan-2-one
CID 131940846
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
2-ethoxy-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91760961
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 91796757
3-[3-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 157017436
2-methyl-1-[2-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91775202
(4R)-1-(cyclopropylmethyl)-4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94093448
4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]butan-1-one
CID 94112164
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one (CID 97283695) is 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one is Cc1cc([C@@H]2CCCCN2C(=O)CN2CC3(CCCCC3)CC2=O)no1.
What is the InChIKey of 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one?
The InChIKey is YFWKNQPCJDTOMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15-11-16(21-26-15)17-7-3-6-10-23(17)19(25)13-22-14-20(12-18(22)24)8-4-2-5-9-20/h11,17H,2-10,12-14H2,1H3/t17-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one?
2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one has a molecular weight of 359.47 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 97283695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).