2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

C18H31ClN4O3 — CID 119532166

IUPAC2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1CCNC1.Cl
InChIInChI=1S/C18H30N4O3.ClH/c1-3-10-21(14-7-9-19-11-14)15(23)12-22-16(24)18(20-17(22)25)8-5-4-6-13(18)2;/h13-14,19H,3-12H2,1-2H3,(H,20,25);1H
InChIKeyPIKXPMBTPCGFLX-UHFFFAOYSA-N
MW386.92 g/mol
LogP1.51
Rot. Bonds5

About 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (PubChem CID 119532166) has the molecular formula C18H31ClN4O3 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
PubChem CID119532166
Molecular FormulaC18H31ClN4O3
Molecular Weight386.92 g/mol
Exact Mass386.21
IUPAC Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
SMILESCCCN(C(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1CCNC1.Cl
InChIInChI=1S/C18H30N4O3.ClH/c1-3-10-21(14-7-9-19-11-14)15(23)12-22-16(24)18(20-17(22)25)8-5-4-6-13(18)2;/h13-14,19H,3-12H2,1-2H3,(H,20,25);1H
InChIKeyPIKXPMBTPCGFLX-UHFFFAOYSA-N
XLogP1.51
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-dipropylacetamide
CID 78784211
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530186
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
N-methyl-N-(4-methylcyclohexyl)-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8521753
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 17390675
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11923048
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119532161
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119824077
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480477
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride (CID 119532166) is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is CCCN(C(=O)CN1C(=O)NC2(CCCCC2C)C1=O)C1CCNC1.Cl.
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
The InChIKey is PIKXPMBTPCGFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3.ClH/c1-3-10-21(14-7-9-19-11-14)15(23)12-22-16(24)18(20-17(22)25)8-5-4-6-13(18)2;/h13-14,19H,3-12H2,1-2H3,(H,20,25);1H.
What are the key properties of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride?
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119532166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).