6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

C17H29ClN4O3 — CID 119651115

IUPAC6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCNCC1CCCN1C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-12-6-3-4-8-17(12)15(23)21(16(24)19-17)11-14(22)20-9-5-7-13(20)10-18-2;/h12-13,18H,3-11H2,1-2H3,(H,19,24);1H
InChIKeyZQADHXHKJTWMKW-UHFFFAOYSA-N
MW372.90 g/mol
LogP1.12
Rot. Bonds4

About 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 119651115) has the molecular formula C17H29ClN4O3 and a molecular weight of 372.90 g/mol. Its IUPAC name is 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID119651115
Molecular FormulaC17H29ClN4O3
Molecular Weight372.90 g/mol
Exact Mass372.19
IUPAC Name6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCNCC1CCCN1C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-12-6-3-4-8-17(12)15(23)21(16(24)19-17)11-14(22)20-9-5-7-13(20)10-18-2;/h12-13,18H,3-11H2,1-2H3,(H,19,24);1H
InChIKeyZQADHXHKJTWMKW-UHFFFAOYSA-N
XLogP1.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 51.12
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

3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 119650021
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119649134
N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3970224
5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119649000
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
(5R,6R)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571777
(5R,6S)-3-[2-(azocan-1-yl)-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 8571778
(5S,6R)-3-[2-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 95266831
N-carbamoyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2703407
(5S,6S)-6-methyl-3-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 94205648
3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119624344
(5R,6R)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11892777

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 119651115) is 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CNCC1CCCN1C(=O)CN1C(=O)NC2(CCCCC2C)C1=O.Cl.
What is the InChIKey of 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is ZQADHXHKJTWMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.ClH/c1-12-6-3-4-8-17(12)15(23)21(16(24)19-17)11-14(22)20-9-5-7-13(20)10-18-2;/h12-13,18H,3-11H2,1-2H3,(H,19,24);1H.
What are the key properties of 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 119651115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).