(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide

C16H24N6O3 — CID 97373735

IUPAC(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)N(C)C)C2
InChIInChI=1S/C16H24N6O3/c1-12(23)22-9-14(24)21(13-7-17-19(4)8-13)11-16(22)5-6-20(10-16)15(25)18(2)3/h7-8H,5-6,9-11H2,1-4H3/t16-/m0/s1
InChIKeyZXICXSALHKWCSJ-INIZCTEOSA-N
MW348.41 g/mol
LogP-0.26
Rot. Bonds1

About (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide

(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide (PubChem CID 97373735) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
PubChem CID97373735
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)N(C)C)C2
InChIInChI=1S/C16H24N6O3/c1-12(23)22-9-14(24)21(13-7-17-19(4)8-13)11-16(22)5-6-20(10-16)15(25)18(2)3/h7-8H,5-6,9-11H2,1-4H3/t16-/m0/s1
InChIKeyZXICXSALHKWCSJ-INIZCTEOSA-N
XLogP-0.26
TPSA81.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyrrolidine-1-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373737
(5R)-6-acetyl-9-(1-methylpyrazol-4-yl)-2-(1,3-thiazole-4-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373698
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-4-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131644928
6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118739709
(5R)-6-acetyl-2-[(4-fluorophenyl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373686
(5R)-6-acetyl-2-[(4-methoxyphenyl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373688
(5R)-6-acetyl-2-[(5-methylfuran-2-yl)methyl]-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373683
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131651998
6-acetyl-9-(1-methylpyrazol-4-yl)-2-(thiophen-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118743303
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131679945
6-methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131642956
6-acetyl-2-(oxane-4-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131648514

Frequently Asked Questions

What is the IUPAC name of (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide (CID 97373735) is (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide is CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(C(=O)N(C)C)C2.
What is the InChIKey of (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
The InChIKey is ZXICXSALHKWCSJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-12(23)22-9-14(24)21(13-7-17-19(4)8-13)11-16(22)5-6-20(10-16)15(25)18(2)3/h7-8H,5-6,9-11H2,1-4H3/t16-/m0/s1.
What are the key properties of (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide?
(5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-acetyl-N,N-dimethyl-9-(1-methylpyrazol-4-yl)-8-oxo-2,6,9-triazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 97373735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).