2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C25H29N3O4 — CID 131669901

IUPAC2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2CCOC3(CN(C(=O)CC4CC4)CC3c3cccnc3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-31-21-8-6-19(7-9-21)15-27-11-12-32-25(24(27)30)17-28(23(29)13-18-4-5-18)16-22(25)20-3-2-10-26-14-20/h2-3,6-10,14,18,22H,4-5,11-13,15-17H2,1H3
InChIKeyUUTHQYLCAFLYSY-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.61
Rot. Bonds6

About 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one

2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 131669901) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
PubChem CID131669901
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2CCOC3(CN(C(=O)CC4CC4)CC3c3cccnc3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-31-21-8-6-19(7-9-21)15-27-11-12-32-25(24(27)30)17-28(23(29)13-18-4-5-18)16-22(25)20-3-2-10-26-14-20/h2-3,6-10,14,18,22H,4-5,11-13,15-17H2,1H3
InChIKeyUUTHQYLCAFLYSY-UHFFFAOYSA-N
XLogP2.61
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-benzyl-4-pyridin-3-yl-2-(pyridin-2-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131672435
9-[(4-fluorophenyl)methyl]-2-(2-methylpyrazole-3-carbonyl)-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one;2,2,2-trifluoroacetic acid
CID 155863406
4-pyridin-3-yl-2-(pyridin-3-ylmethyl)-9-(pyridin-4-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one;tetrakis(2,2,2-trifluoroacetic acid)
CID 155834498
4-pyridin-3-yl-2,9-bis(thiophen-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
CID 131669889
8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 67369537
9-(3-chloro-2-methylbenzoyl)-4-phenyl-2-(pyridin-3-ylmethyl)-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131697434
8-[[1-(2-cyclopropylacetyl)-4-phenylpyrrolidin-3-yl]methyl]-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 67369536
2-[(4-methoxyphenyl)methyl]-8-[[(3S,4S)-4-phenyl-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 11753026
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-2-methyl-3-oxomorpholin-2-yl]propanoic acid
CID 90319948
8-[(4-methoxyphenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118745893
1-[(4-methoxyphenyl)methyl]-4-[2-[(3R)-oxan-3-yl]acetyl]piperazin-2-one
CID 126447577

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 131669901) is 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one is COc1ccc(CN2CCOC3(CN(C(=O)CC4CC4)CC3c3cccnc3)C2=O)cc1.
What is the InChIKey of 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The InChIKey is UUTHQYLCAFLYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-31-21-8-6-19(7-9-21)15-27-11-12-32-25(24(27)30)17-28(23(29)13-18-4-5-18)16-22(25)20-3-2-10-26-14-20/h2-3,6-10,14,18,22H,4-5,11-13,15-17H2,1H3.
What are the key properties of 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 435.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylacetyl)-9-[(4-methoxyphenyl)methyl]-4-pyridin-3-yl-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 131669901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).