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

C17H27N5O4 — CID 24585612

IUPAC3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C17H27N5O4/c1-13(23)21-11-9-20(10-12-21)8-5-14(24)19-22-15(25)17(18-16(22)26)6-3-2-4-7-17/h2-12H2,1H3,(H,18,26)(H,19,24)
InChIKeyFBHOHESVIWXTSE-UHFFFAOYSA-N
MW365.43 g/mol
LogP-0.17
Rot. Bonds4

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

3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 24585612) has the molecular formula C17H27N5O4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID24585612
Molecular FormulaC17H27N5O4
Molecular Weight365.43 g/mol
Exact Mass365.21
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCC(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1
InChIInChI=1S/C17H27N5O4/c1-13(23)21-11-9-20(10-12-21)8-5-14(24)19-22-15(25)17(18-16(22)26)6-3-2-4-7-17/h2-12H2,1H3,(H,18,26)(H,19,24)
InChIKeyFBHOHESVIWXTSE-UHFFFAOYSA-N
XLogP-0.17
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 24585612) is 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is CC(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is FBHOHESVIWXTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4/c1-13(23)21-11-9-20(10-12-21)8-5-14(24)19-22-15(25)17(18-16(22)26)6-3-2-4-7-17/h2-12H2,1H3,(H,18,26)(H,19,24).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 365.43 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 24585612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).