3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one

C19H25N3O3 — CID 124962635

IUPAC3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCC[C@H]1c1ccnc(N2CC3(CCCCC3)OC2=O)c1
InChIInChI=1S/C19H25N3O3/c1-14(23)21-11-5-6-16(21)15-7-10-20-17(12-15)22-13-19(25-18(22)24)8-3-2-4-9-19/h7,10,12,16H,2-6,8-9,11,13H2,1H3/t16-/m0/s1
InChIKeyHKHFYNYAFQJUGN-INIZCTEOSA-N
MW343.43 g/mol
LogP3.42
Rot. Bonds2

About 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one

3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 124962635) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID124962635
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCC[C@H]1c1ccnc(N2CC3(CCCCC3)OC2=O)c1
InChIInChI=1S/C19H25N3O3/c1-14(23)21-11-5-6-16(21)15-7-10-20-17(12-15)22-13-19(25-18(22)24)8-3-2-4-9-19/h7,10,12,16H,2-6,8-9,11,13H2,1H3/t16-/m0/s1
InChIKeyHKHFYNYAFQJUGN-INIZCTEOSA-N
XLogP3.42
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 124962635) is 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one is CC(=O)N1CCC[C@H]1c1ccnc(N2CC3(CCCCC3)OC2=O)c1.
What is the InChIKey of 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is HKHFYNYAFQJUGN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(23)21-11-5-6-16(21)15-7-10-20-17(12-15)22-13-19(25-18(22)24)8-3-2-4-9-19/h7,10,12,16H,2-6,8-9,11,13H2,1H3/t16-/m0/s1.
What are the key properties of 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 343.43 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2S)-1-acetylpyrrolidin-2-yl]-2-pyridinyl]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 124962635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).