3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

C24H35N5O3 — CID 55664754

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C24H35N5O3/c1-2-27-13-15-28(16-14-27)18-20-8-4-3-7-19(20)17-25-21(30)9-12-29-22(31)24(26-23(29)32)10-5-6-11-24/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,25,30)(H,26,32)
InChIKeyFZDJILXSHYITBJ-UHFFFAOYSA-N
MW441.58 g/mol
LogP1.70
Rot. Bonds8

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 55664754) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID55664754
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCCN1CCN(Cc2ccccc2CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1
InChIInChI=1S/C24H35N5O3/c1-2-27-13-15-28(16-14-27)18-20-8-4-3-7-19(20)17-25-21(30)9-12-29-22(31)24(26-23(29)32)10-5-6-11-24/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,25,30)(H,26,32)
InChIKeyFZDJILXSHYITBJ-UHFFFAOYSA-N
XLogP1.70
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24551077
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
N-(2-aminoethyl)-3-(8-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanamide
CID 94755207
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 27845838
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 24666189
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30753476
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(ethylamino)ethyl]propanamide
CID 119506024
3-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 109017626
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 9206336
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-phenylsulfanylethyl)propanamide
CID 9483144

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide (CID 55664754) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide is CCN1CCN(Cc2ccccc2CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is FZDJILXSHYITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-2-27-13-15-28(16-14-27)18-20-8-4-3-7-19(20)17-25-21(30)9-12-29-22(31)24(26-23(29)32)10-5-6-11-24/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,25,30)(H,26,32).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 441.58 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 55664754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).