8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C19H34N4O2 — CID 131678387

IUPAC8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)CN(CCOC)CC3COC)cn1
InChIInChI=1S/C19H34N4O2/c1-4-23-13-17(11-20-23)12-21-7-5-19(6-8-21)16-22(9-10-24-2)14-18(19)15-25-3/h11,13,18H,4-10,12,14-16H2,1-3H3
InChIKeyNVDDCQUXPOBLNC-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.71
Rot. Bonds8

About 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 131678387) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID131678387
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CC2)CN(CCOC)CC3COC)cn1
InChIInChI=1S/C19H34N4O2/c1-4-23-13-17(11-20-23)12-21-7-5-19(6-8-21)16-22(9-10-24-2)14-18(19)15-25-3/h11,13,18H,4-10,12,14-16H2,1-3H3
InChIKeyNVDDCQUXPOBLNC-UHFFFAOYSA-N
XLogP1.71
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(furan-3-ylmethyl)-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 131677243
(4R)-8-[(3-fluorophenyl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
CID 124790564
(4S)-4-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 124820856
4-(cyclopropylmethoxymethyl)-2-(2-methoxyethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155863614
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
(4S,5R)-2-ethyl-7-(furan-3-ylmethyl)-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97486934
7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672362
(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710
(5R)-3-ethyl-13-(2-methoxyethyl)-9-[(1-methylpyrazol-4-yl)methyl]-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 97360452
4-(methoxymethyl)-2-(thiophen-2-ylmethyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131660669

Frequently Asked Questions

What is the IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 131678387) is 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is CCn1cc(CN2CCC3(CC2)CN(CCOC)CC3COC)cn1.
What is the InChIKey of 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is NVDDCQUXPOBLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-4-23-13-17(11-20-23)12-21-7-5-19(6-8-21)16-22(9-10-24-2)14-18(19)15-25-3/h11,13,18H,4-10,12,14-16H2,1-3H3.
What are the key properties of 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 350.51 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 131678387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).