N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

C18H29N5O2 — CID 72853384

IUPACN-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCN1CCC2(CC1)CC(=O)N(CC(=O)N(C)CCc1cnn(C)c1)C2
InChIInChI=1S/C18H29N5O2/c1-20-8-5-18(6-9-20)10-16(24)23(14-18)13-17(25)21(2)7-4-15-11-19-22(3)12-15/h11-12H,4-10,13-14H2,1-3H3
InChIKeyQUXBLIZERFCSKA-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.37
Rot. Bonds5

About N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 72853384) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID72853384
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCN1CCC2(CC1)CC(=O)N(CC(=O)N(C)CCc1cnn(C)c1)C2
InChIInChI=1S/C18H29N5O2/c1-20-8-5-18(6-9-20)10-16(24)23(14-18)13-17(25)21(2)7-4-15-11-19-22(3)12-15/h11-12H,4-10,13-14H2,1-3H3
InChIKeyQUXBLIZERFCSKA-UHFFFAOYSA-N
XLogP0.37
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 72853384) is N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is CN1CCC2(CC1)CC(=O)N(CC(=O)N(C)CCc1cnn(C)c1)C2.
What is the InChIKey of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is QUXBLIZERFCSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-20-8-5-18(6-9-20)10-16(24)23(14-18)13-17(25)21(2)7-4-15-11-19-22(3)12-15/h11-12H,4-10,13-14H2,1-3H3.
What are the key properties of N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(8-methyl-3-oxo-2,8-diazaspiro[4.5]decan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 72853384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).