1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C19H24N4O2 — CID 56854738

IUPAC1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCON1C(=O)CCC12CCN(Cc1cccn1-c1cccnc1)CC2
InChIInChI=1S/C19H24N4O2/c1-25-23-18(24)6-7-19(23)8-12-21(13-9-19)15-17-5-3-11-22(17)16-4-2-10-20-14-16/h2-5,10-11,14H,6-9,12-13,15H2,1H3
InChIKeyISDOSEBFTRUSMR-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.39
Rot. Bonds4

About 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 56854738) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID56854738
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCON1C(=O)CCC12CCN(Cc1cccn1-c1cccnc1)CC2
InChIInChI=1S/C19H24N4O2/c1-25-23-18(24)6-7-19(23)8-12-21(13-9-19)15-17-5-3-11-22(17)16-4-2-10-20-14-16/h2-5,10-11,14H,6-9,12-13,15H2,1H3
InChIKeyISDOSEBFTRUSMR-UHFFFAOYSA-N
XLogP2.39
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-8-[(3-methylthiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 71687505
[4-(oxan-2-ylmethyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]methanol
CID 45195451
methyl 5-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50970434
1'-[(1-pyridin-3-ylpyrrol-2-yl)methyl]spiro[3,6-dihydro-2H-imidazo[1,2-c]quinazoline-5,4'-piperidine]
CID 95794058
(4aS,8aR)-1-(2-aminoethyl)-6-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one;dihydrochloride
CID 154889170
8-[(9-ethylcarbazol-3-yl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687450
8-[(1-methylimidazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493833
[(3R)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857174
(9aS)-2-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 50965676
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 126463087
2-piperidin-1-yl-7-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719780

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 56854738) is 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is CON1C(=O)CCC12CCN(Cc1cccn1-c1cccnc1)CC2.
What is the InChIKey of 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ISDOSEBFTRUSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-23-18(24)6-7-19(23)8-12-21(13-9-19)15-17-5-3-11-22(17)16-4-2-10-20-14-16/h2-5,10-11,14H,6-9,12-13,15H2,1H3.
What are the key properties of 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-8-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56854738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).