1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one

C17H32N4O — CID 56740413

IUPAC1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCN1CCC2(CC1)CN(C(=O)CCN1CCCC1)CCN2C
InChIInChI=1S/C17H32N4O/c1-18-11-6-17(7-12-18)15-21(14-13-19(17)2)16(22)5-10-20-8-3-4-9-20/h3-15H2,1-2H3
InChIKeyBVVACUWTAYHASG-UHFFFAOYSA-N
MW308.47 g/mol
LogP0.71
Rot. Bonds3

About 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 56740413) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID56740413
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC Name1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCN1CCC2(CC1)CN(C(=O)CCN1CCCC1)CCN2C
InChIInChI=1S/C17H32N4O/c1-18-11-6-17(7-12-18)15-21(14-13-19(17)2)16(22)5-10-20-8-3-4-9-20/h3-15H2,1-2H3
InChIKeyBVVACUWTAYHASG-UHFFFAOYSA-N
XLogP0.71
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
3-(azocan-1-yl)-1-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)propan-1-one
CID 50958689
4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
CID 56756430
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-[(2S)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 95226595
3-(azocan-1-yl)-1-[4-(4-hydroxybutyl)piperazin-1-yl]propan-1-one
CID 46994863
1-[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 97131941
1-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 56742211
1-[3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 72854038

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 56740413) is 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one is CN1CCC2(CC1)CN(C(=O)CCN1CCCC1)CCN2C.
What is the InChIKey of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BVVACUWTAYHASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c1-18-11-6-17(7-12-18)15-21(14-13-19(17)2)16(22)5-10-20-8-3-4-9-20/h3-15H2,1-2H3.
What are the key properties of 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 308.47 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 56740413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).