3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

C20H29N3O3 — CID 110099085

IUPAC3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)N1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1
InChIInChI=1S/C20H29N3O3/c1-15(2)22-10-6-16(7-11-22)17-4-3-5-18(21-17)23-14-20(26-19(23)24)8-12-25-13-9-20/h3-5,15-16H,6-14H2,1-2H3
InChIKeyPULJHNYIDARBFX-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.18
Rot. Bonds3

About 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one

3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (PubChem CID 110099085) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
PubChem CID110099085
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one
SMILESCC(C)N1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1
InChIInChI=1S/C20H29N3O3/c1-15(2)22-10-6-16(7-11-22)17-4-3-5-18(21-17)23-14-20(26-19(23)24)8-12-25-13-9-20/h3-5,15-16H,6-14H2,1-2H3
InChIKeyPULJHNYIDARBFX-UHFFFAOYSA-N
XLogP3.18
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one (CID 110099085) is 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is CC(C)N1CCC(c2cccc(N3CC4(CCOCC4)OC3=O)n2)CC1.
What is the InChIKey of 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is PULJHNYIDARBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)22-10-6-16(7-11-22)17-4-3-5-18(21-17)23-14-20(26-19(23)24)8-12-25-13-9-20/h3-5,15-16H,6-14H2,1-2H3.
What are the key properties of 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one?
3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 359.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]-1,8-dioxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 110099085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).