8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H31N3O2 — CID 167215369

IUPAC8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC(CC(C)(C)N2CCC3(CC2)CNC(=O)O3)CC1
InChIInChI=1S/C17H31N3O2/c1-16(2,12-14-4-8-19(3)9-5-14)20-10-6-17(7-11-20)13-18-15(21)22-17/h14H,4-13H2,1-3H3,(H,18,21)
InChIKeyLEOGCVYKKWMUNP-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.07
Rot. Bonds3

About 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 167215369) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID167215369
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CCC(CC(C)(C)N2CCC3(CC2)CNC(=O)O3)CC1
InChIInChI=1S/C17H31N3O2/c1-16(2,12-14-4-8-19(3)9-5-14)20-10-6-17(7-11-20)13-18-15(21)22-17/h14H,4-13H2,1-3H3,(H,18,21)
InChIKeyLEOGCVYKKWMUNP-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
8-(3,3-dimethylcyclopentyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 154571916
(5'R)-8'-methylspiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one
CID 130291505
8-methoxy-1-oxa-3-azaspiro[4.5]decan-2-one
CID 112704509
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
1-[2-methyl-1-(oxan-4-yl)propan-2-yl]piperazine
CID 116829845
8-(1-methylsulfonylpiperidine-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668818
8-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56912126
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280
7-methyl-2-[(1-methylpiperidin-4-yl)methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 155067148
9-tert-butyl-2-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155396954
8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267

Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 167215369) is 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CCC(CC(C)(C)N2CCC3(CC2)CNC(=O)O3)CC1.
What is the InChIKey of 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LEOGCVYKKWMUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-16(2,12-14-4-8-19(3)9-5-14)20-10-6-17(7-11-20)13-18-15(21)22-17/h14H,4-13H2,1-3H3,(H,18,21).
What are the key properties of 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 309.45 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 167215369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).