1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

C19H32N4O3 — CID 91922264

IUPAC1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOCCN1CC(CO)C2(CCN(C(=O)CCn3cc(C)cn3)CC2)C1
InChIInChI=1S/C19H32N4O3/c1-16-11-20-23(12-16)6-3-18(25)22-7-4-19(5-8-22)15-21(9-10-26-2)13-17(19)14-24/h11-12,17,24H,3-10,13-15H2,1-2H3
InChIKeyKJSSNUGCUXVGGP-UHFFFAOYSA-N
MW364.49 g/mol
LogP0.76
Rot. Bonds7

About 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 91922264) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID91922264
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
SMILESCOCCN1CC(CO)C2(CCN(C(=O)CCn3cc(C)cn3)CC2)C1
InChIInChI=1S/C19H32N4O3/c1-16-11-20-23(12-16)6-3-18(25)22-7-4-19(5-8-22)15-21(9-10-26-2)13-17(19)14-24/h11-12,17,24H,3-10,13-15H2,1-2H3
InChIKeyKJSSNUGCUXVGGP-UHFFFAOYSA-N
XLogP0.76
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one (CID 91922264) is 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is COCCN1CC(CO)C2(CCN(C(=O)CCn3cc(C)cn3)CC2)C1.
What is the InChIKey of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is KJSSNUGCUXVGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-16-11-20-23(12-16)6-3-18(25)22-7-4-19(5-8-22)15-21(9-10-26-2)13-17(19)14-24/h11-12,17,24H,3-10,13-15H2,1-2H3.
What are the key properties of 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one?
1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 364.49 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 91922264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).