2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone

C20H37N3O2 — CID 56714265

IUPAC2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCCCN1CCN(C2CCC3(CC2)CCN(C(=O)COC)CC3)CC1
InChIInChI=1S/C20H37N3O2/c1-3-10-21-13-15-22(16-14-21)18-4-6-20(7-5-18)8-11-23(12-9-20)19(24)17-25-2/h18H,3-17H2,1-2H3
InChIKeyLBAVNELFSZXVKK-UHFFFAOYSA-N
MW351.54 g/mol
LogP2.21
Rot. Bonds5

About 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone

2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone (PubChem CID 56714265) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone
PubChem CID56714265
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC Name2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone
SMILESCCCN1CCN(C2CCC3(CC2)CCN(C(=O)COC)CC3)CC1
InChIInChI=1S/C20H37N3O2/c1-3-10-21-13-15-22(16-14-21)18-4-6-20(7-5-18)8-11-23(12-9-20)19(24)17-25-2/h18H,3-17H2,1-2H3
InChIKeyLBAVNELFSZXVKK-UHFFFAOYSA-N
XLogP2.21
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone with MolForge

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Related Compounds

1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone
CID 170031552
2-ethoxy-1-(4-propylpiperazin-1-yl)ethanone
CID 60708281
2-(1-hydroxycyclopentyl)-1-[4-(1-propylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 71984255
2-methoxy-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90616344
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 79650086
1-[4-(2-chloroethyl)piperazin-1-yl]-2-methoxyethanone;hydrochloride
CID 82032370
ethyl 1-(methylamino)-3-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylate
CID 79645136
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 63309841
9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66701001
1-(2-methoxyacetyl)-4-methylpiperidine-4-carboxylic acid
CID 63123330

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone?
The IUPAC name of 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone (CID 56714265) is 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone is CCCN1CCN(C2CCC3(CC2)CCN(C(=O)COC)CC3)CC1.
What is the InChIKey of 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone?
The InChIKey is LBAVNELFSZXVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-3-10-21-13-15-22(16-14-21)18-4-6-20(7-5-18)8-11-23(12-9-20)19(24)17-25-2/h18H,3-17H2,1-2H3.
What are the key properties of 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone?
2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone has a molecular weight of 351.54 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone is sourced from PubChem (CID 56714265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).