N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

C19H31N5O3 — CID 72839362

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCOCCCN1CC2(CCN(CC(=O)Nc3cn(C)nc3C)CC2)CC1=O
InChIInChI=1S/C19H31N5O3/c1-15-16(12-22(2)21-15)20-17(25)13-23-8-5-19(6-9-23)11-18(26)24(14-19)7-4-10-27-3/h12H,4-11,13-14H2,1-3H3,(H,20,25)
InChIKeyJTIUZCFQLITPQW-UHFFFAOYSA-N
MW377.49 g/mol
LogP1.02
Rot. Bonds7

About N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (PubChem CID 72839362) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
PubChem CID72839362
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
SMILESCOCCCN1CC2(CCN(CC(=O)Nc3cn(C)nc3C)CC2)CC1=O
InChIInChI=1S/C19H31N5O3/c1-15-16(12-22(2)21-15)20-17(25)13-23-8-5-19(6-9-23)11-18(26)24(14-19)7-4-10-27-3/h12H,4-11,13-14H2,1-3H3,(H,20,25)
InChIKeyJTIUZCFQLITPQW-UHFFFAOYSA-N
XLogP1.02
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropyl)-8-[3-(4-methylpyrazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72851928
N-(1,3-dimethylpyrazol-4-yl)-2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylacetamide
CID 164695423
N-(1,3-dimethylpyrazol-4-yl)-2-[9-[(2-methyl-1H-imidazol-5-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]acetamide
CID 131929308
8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72858062
2-(3-methoxypropyl)-8-[2-methyl-3-(1,2,4-triazol-1-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72904278
2-(3-methoxypropyl)-9-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70778884
8-(5,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686555
N-(1,3-dimethylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
CID 46981177
2-(3-methoxypropyl)-8-[(3-methylsulfanylphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72867341
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
8-(1,3-dimethylpyrazole-4-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decan-3-one
CID 70778379

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide (CID 72839362) is N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is COCCCN1CC2(CCN(CC(=O)Nc3cn(C)nc3C)CC2)CC1=O.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
The InChIKey is JTIUZCFQLITPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-15-16(12-22(2)21-15)20-17(25)13-23-8-5-19(6-9-23)11-18(26)24(14-19)7-4-10-27-3/h12H,4-11,13-14H2,1-3H3,(H,20,25).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide has a molecular weight of 377.49 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide is sourced from PubChem (CID 72839362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).