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

C16H23N5O3 — CID 118739346

IUPACN-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)NC(=O)CC2c1cnn(C)c1
InChIInChI=1S/C16H23N5O3/c1-11(22)17-9-15(24)21-5-3-16(4-6-21)13(7-14(23)19-16)12-8-18-20(2)10-12/h8,10,13H,3-7,9H2,1-2H3,(H,17,22)(H,19,23)
InChIKeyTXLMQWJQXFJNCM-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.48
Rot. Bonds3

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

N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide (PubChem CID 118739346) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
PubChem CID118739346
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC2(CC1)NC(=O)CC2c1cnn(C)c1
InChIInChI=1S/C16H23N5O3/c1-11(22)17-9-15(24)21-5-3-16(4-6-21)13(7-14(23)19-16)12-8-18-20(2)10-12/h8,10,13H,3-7,9H2,1-2H3,(H,17,22)(H,19,23)
InChIKeyTXLMQWJQXFJNCM-UHFFFAOYSA-N
XLogP-0.48
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

[2-(1-Methylpyrazol-4-yl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25196905
rac-(4R,5S)-4-(aminomethyl)-1-tert-butyl-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164143
rac-(4R,5S)-4-(aminomethyl)-1-(2-methoxyethyl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 122164147
4-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 66107601
3-(1-Methylpyrazol-4-yl)-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 53625013
8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
(2S)-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 71969908
1-isopropyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-3-piperidinecarboxamide
CID 72919300
Cyclopentyl-[4-[2-[1-(1-methylpyrazol-4-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84587817
8-(Cyclopent-3-ene-1-carbonyl)-1-ethyl-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739097
8-(Cyclopent-3-ene-1-carbonyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739336
N-cyclopropyl-4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 118739348

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide (CID 118739346) is N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC2(CC1)NC(=O)CC2c1cnn(C)c1.
What is the InChIKey of N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide?
The InChIKey is TXLMQWJQXFJNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-11(22)17-9-15(24)21-5-3-16(4-6-21)13(7-14(23)19-16)12-8-18-20(2)10-12/h8,10,13H,3-7,9H2,1-2H3,(H,17,22)(H,19,23).
What are the key properties of N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide?
N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methylpyrazol-4-yl)-2-oxo-1,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 118739346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).