8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H25N3O2 — CID 70710466

IUPAC8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(CCO)C2)CN1Cc1ccccn1
InChIInChI=1S/C17H25N3O2/c21-11-10-19-9-3-6-17(13-19)7-5-16(22)20(14-17)12-15-4-1-2-8-18-15/h1-2,4,8,21H,3,5-7,9-14H2
InChIKeyNZYFJGOAOWHKFH-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.28
Rot. Bonds4

About 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70710466) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70710466
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCCN(CCO)C2)CN1Cc1ccccn1
InChIInChI=1S/C17H25N3O2/c21-11-10-19-9-3-6-17(13-19)7-5-16(22)20(14-17)12-15-4-1-2-8-18-15/h1-2,4,8,21H,3,5-7,9-14H2
InChIKeyNZYFJGOAOWHKFH-UHFFFAOYSA-N
XLogP1.28
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-8-[2-(2-hydroxyethoxy)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95880682
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95867395
(6R)-8-(2-hydroxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896840
2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724419
6-[[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97120264
6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97120265
(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870785
4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
CID 95874562
1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
CID 95870290
(6S)-8-(2-propan-2-yloxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95869134
N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide
CID 70743166

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70710466) is 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCCN(CCO)C2)CN1Cc1ccccn1.
What is the InChIKey of 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NZYFJGOAOWHKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-11-10-19-9-3-6-17(13-19)7-5-16(22)20(14-17)12-15-4-1-2-8-18-15/h1-2,4,8,21H,3,5-7,9-14H2.
What are the key properties of 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70710466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).