8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H32N4O2 — CID 70756572

IUPAC8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(CN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-19(21-7-5-4-6-8-21)16-28-18-24(30-23(28)29)11-13-27(14-12-24)17-20-9-10-22(25-15-20)26(2)3/h4-10,15,19H,11-14,16-18H2,1-3H3
InChIKeyLXZABHDRWFNMGX-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.74
Rot. Bonds6

About 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70756572) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70756572
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(CN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-19(21-7-5-4-6-8-21)16-28-18-24(30-23(28)29)11-13-27(14-12-24)17-20-9-10-22(25-15-20)26(2)3/h4-10,15,19H,11-14,16-18H2,1-3H3
InChIKeyLXZABHDRWFNMGX-UHFFFAOYSA-N
XLogP3.74
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-(2-phenylpropyl)-8-(1,3-thiazol-4-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70780245
8-(2-amino-2-methylpropyl)-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 95871783
N-ethyl-2-[2-oxo-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 70779385
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-phenylpiperidine-4-carbonitrile
CID 77083519
4-[[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]methyl]benzoic acid
CID 70776773
1-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77082192
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
(4S)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]-3,3,4-trimethylpiperidin-4-ol
CID 72935923
(5S)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97151956
8-benzyl-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;1-benzyl-4-hydroxypiperidine-4-carbonitrile
CID 91558624
8-[(2-ethylpyrimidin-5-yl)methyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707070
2-(dimethylamino)-8-[(2R)-2-phenylpropyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 95046372

Frequently Asked Questions

What is the IUPAC name of 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70756572) is 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(CN1CC2(CCN(Cc3ccc(N(C)C)nc3)CC2)OC1=O)c1ccccc1.
What is the InChIKey of 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LXZABHDRWFNMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-19(21-7-5-4-6-8-21)16-28-18-24(30-23(28)29)11-13-27(14-12-24)17-20-9-10-22(25-15-20)26(2)3/h4-10,15,19H,11-14,16-18H2,1-3H3.
What are the key properties of 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 408.55 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[6-(dimethylamino)-3-pyridinyl]methyl]-3-(2-phenylpropyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70756572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).