3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H30N4O4 — CID 70733414

IUPAC3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)OC1=O
InChIInChI=1S/C18H30N4O4/c1-14(2)3-7-22-13-18(26-17(22)25)4-8-21(9-5-18)16(24)12-20-10-6-19-15(23)11-20/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyFCANFCOXZYOAQH-UHFFFAOYSA-N
MW366.46 g/mol
LogP0.28
Rot. Bonds5

About 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70733414) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70733414
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Name3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)OC1=O
InChIInChI=1S/C18H30N4O4/c1-14(2)3-7-22-13-18(26-17(22)25)4-8-21(9-5-18)16(24)12-20-10-6-19-15(23)11-20/h14H,3-13H2,1-2H3,(H,19,23)
InChIKeyFCANFCOXZYOAQH-UHFFFAOYSA-N
XLogP0.28
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-(3-piperidinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70782635
8-beta-Alanyl-3-[2-(4-isopropyl-1-piperazinyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70714820
3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-(N-methyl-L-alanyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70724574
3-Methyl-8-(1-piperidin-4-ylprolyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70737039
3-[3-(4-Ethyl-1-piperazinyl)propyl]-8-glycyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70768088
3-[2-(4-ethyl-1-piperazinyl)ethyl]-8-D-prolyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one dihydrochloride
CID 70741001
N-({1-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)acetyl]-4-piperidinyl}methyl)acetamide
CID 30869444
N-(2-methyl-1-{[3-(3-methylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl]carbonyl}propyl)urea
CID 70785129
4-(2-Oxo-piperazin-1-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 23447514
Tert-butyl 4-[(3-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 58735685
Methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate
CID 67654113
Tert-butyl 4-hydroxy-4-[(2-oxopiperazin-1-yl)methyl]piperidine-1-carboxylate
CID 69930608

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70733414) is 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)CCN1CC2(CCN(C(=O)CN3CCNC(=O)C3)CC2)OC1=O.
What is the InChIKey of 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FCANFCOXZYOAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-14(2)3-7-22-13-18(26-17(22)25)4-8-21(9-5-18)16(24)12-20-10-6-19-15(23)11-20/h14H,3-13H2,1-2H3,(H,19,23).
What are the key properties of 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 366.46 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-8-[2-(3-oxopiperazin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70733414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).