N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide

C23H33N5O4 — CID 24585619

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C23H33N5O4/c1-2-32-19-9-5-4-8-18(19)27-16-14-26(15-17-27)13-10-20(29)25-28-21(30)23(24-22(28)31)11-6-3-7-12-23/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,24,31)(H,25,29)
InChIKeyKOYTVYISTHMOFY-UHFFFAOYSA-N
MW443.55 g/mol
LogP1.88
Rot. Bonds7

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 24585619) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
PubChem CID24585619
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C23H33N5O4/c1-2-32-19-9-5-4-8-18(19)27-16-14-26(15-17-27)13-10-20(29)25-28-21(30)23(24-22(28)31)11-6-3-7-12-23/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,24,31)(H,25,29)
InChIKeyKOYTVYISTHMOFY-UHFFFAOYSA-N
XLogP1.88
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide (CID 24585619) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide is CCOc1ccccc1N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is KOYTVYISTHMOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-2-32-19-9-5-4-8-18(19)27-16-14-26(15-17-27)13-10-20(29)25-28-21(30)23(24-22(28)31)11-6-3-7-12-23/h4-5,8-9H,2-3,6-7,10-17H2,1H3,(H,24,31)(H,25,29).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 443.55 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 24585619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).