N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide

C16H25N5O3 — CID 72915432

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(CN(C)C(=O)CN2CC3(CCNCC3)OC2=O)n(C)n1
InChIInChI=1S/C16H25N5O3/c1-12-8-13(20(3)18-12)9-19(2)14(22)10-21-11-16(24-15(21)23)4-6-17-7-5-16/h8,17H,4-7,9-11H2,1-3H3
InChIKeyQUASWLQSLUEMEP-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.26
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 72915432) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID72915432
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(CN(C)C(=O)CN2CC3(CCNCC3)OC2=O)n(C)n1
InChIInChI=1S/C16H25N5O3/c1-12-8-13(20(3)18-12)9-19(2)14(22)10-21-11-16(24-15(21)23)4-6-17-7-5-16/h8,17H,4-7,9-11H2,1-3H3
InChIKeyQUASWLQSLUEMEP-UHFFFAOYSA-N
XLogP0.26
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide (CID 72915432) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(CN(C)C(=O)CN2CC3(CCNCC3)OC2=O)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is QUASWLQSLUEMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-12-8-13(20(3)18-12)9-19(2)14(22)10-21-11-16(24-15(21)23)4-6-17-7-5-16/h8,17H,4-7,9-11H2,1-3H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 72915432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).