1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone

C24H31N3O2 — CID 97370728

IUPAC1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
SMILESCOc1ccc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)cc1
InChIInChI=1S/C24H31N3O2/c1-29-22-6-4-20(5-7-22)19-26-13-8-24(9-14-26)10-15-27(16-11-24)23(28)17-21-3-2-12-25-18-21/h2-7,12,18H,8-11,13-17,19H2,1H3
InChIKeyAFUAHHFYIMOTKH-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.54
Rot. Bonds5

About 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone

1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone (PubChem CID 97370728) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
PubChem CID97370728
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
SMILESCOc1ccc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)cc1
InChIInChI=1S/C24H31N3O2/c1-29-22-6-4-20(5-7-22)19-26-13-8-24(9-14-26)10-15-27(16-11-24)23(28)17-21-3-2-12-25-18-21/h2-7,12,18H,8-11,13-17,19H2,1H3
InChIKeyAFUAHHFYIMOTKH-UHFFFAOYSA-N
XLogP3.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

8-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155845530
1-[5-[(4-methoxyphenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]-2-pyridin-3-ylethanone
CID 110067215
[2-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-pyridin-3-ylmethanone
CID 97472755
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
8-[(4-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372599
9-[(4-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 155849939
[2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97370069
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686523
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
3-(3,5-dimethoxyphenyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 134033185

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone (CID 97370728) is 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone is COc1ccc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)cc1.
What is the InChIKey of 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone?
The InChIKey is AFUAHHFYIMOTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-22-6-4-20(5-7-22)19-26-13-8-24(9-14-26)10-15-27(16-11-24)23(28)17-21-3-2-12-25-18-21/h2-7,12,18H,8-11,13-17,19H2,1H3.
What are the key properties of 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone?
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone has a molecular weight of 393.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 97370728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).