N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C18H29N5O2 — CID 56886293

IUPACN-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1
InChIInChI=1S/C18H29N5O2/c1-14(24)20-12-17-2-3-18(25-17)4-7-22(8-5-18)13-15-10-16-11-19-6-9-23(16)21-15/h10,17,19H,2-9,11-13H2,1H3,(H,20,24)
InChIKeyOVOUZIRNDMFXQL-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.64
Rot. Bonds4

About N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 56886293) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID56886293
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1
InChIInChI=1S/C18H29N5O2/c1-14(24)20-12-17-2-3-18(25-17)4-7-22(8-5-18)13-15-10-16-11-19-6-9-23(16)21-15/h10,17,19H,2-9,11-13H2,1H3,(H,20,24)
InChIKeyOVOUZIRNDMFXQL-UHFFFAOYSA-N
XLogP0.64
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 56908090
N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154924831
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42341477
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
3-methyl-8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154895528
(2S)-N-[[(2S)-8-[(3,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 42369914
N-[[8-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 56892786
2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 126463872
N-[[8-(5-acetyl-4-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 72912414
2-(4-methylsulfanylphenyl)-N-[[(2R)-8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42211305
(2S)-N-[[(2R)-8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]oxolane-2-carboxamide
CID 42372453
2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83694497

Frequently Asked Questions

What is the IUPAC name of N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 56886293) is N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NCC1CCC2(CCN(Cc3cc4n(n3)CCNC4)CC2)O1.
What is the InChIKey of N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is OVOUZIRNDMFXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-14(24)20-12-17-2-3-18(25-17)4-7-22(8-5-18)13-15-10-16-11-19-6-9-23(16)21-15/h10,17,19H,2-9,11-13H2,1H3,(H,20,24).
What are the key properties of N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 347.46 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 56886293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).