3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H31N3O3 — CID 70704527

IUPAC3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCCN1CC2(CCN(C3CCCOC3)CC2)OC1=O
InChIInChI=1S/C17H31N3O3/c1-18(2)8-4-9-20-14-17(23-16(20)21)6-10-19(11-7-17)15-5-3-12-22-13-15/h15H,3-14H2,1-2H3
InChIKeyRRIWSUGPOLZMTN-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.40
Rot. Bonds5

About 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70704527) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70704527
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCCN1CC2(CCN(C3CCCOC3)CC2)OC1=O
InChIInChI=1S/C17H31N3O3/c1-18(2)8-4-9-20-14-17(23-16(20)21)6-10-19(11-7-17)15-5-3-12-22-13-15/h15H,3-14H2,1-2H3
InChIKeyRRIWSUGPOLZMTN-UHFFFAOYSA-N
XLogP1.40
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70704527) is 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN(C)CCCN1CC2(CCN(C3CCCOC3)CC2)OC1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RRIWSUGPOLZMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-18(2)8-4-9-20-14-17(23-16(20)21)6-10-19(11-7-17)15-5-3-12-22-13-15/h15H,3-14H2,1-2H3.
What are the key properties of 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 325.45 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70704527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).