8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C20H21N3O2 — CID 134072421

IUPAC8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3ccccc3)CC2)CC1c1ccncc1
InChIInChI=1S/C20H21N3O2/c24-18-17(15-6-10-21-11-7-15)14-20(22-18)8-12-23(13-9-20)19(25)16-4-2-1-3-5-16/h1-7,10-11,17H,8-9,12-14H2,(H,22,24)
InChIKeyREJIIYUEXLLNBQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.36
Rot. Bonds2

About 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 134072421) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID134072421
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(C(=O)c3ccccc3)CC2)CC1c1ccncc1
InChIInChI=1S/C20H21N3O2/c24-18-17(15-6-10-21-11-7-15)14-20(22-18)8-12-23(13-9-20)19(25)16-4-2-1-3-5-16/h1-7,10-11,17H,8-9,12-14H2,(H,22,24)
InChIKeyREJIIYUEXLLNBQ-UHFFFAOYSA-N
XLogP2.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131651628
(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
8-(3-fluorobenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155830883
(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
8-(morpholine-4-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074619
(3R)-8-(2-methylsulfanylacetyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97210266
N-cyclopropyl-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 131640713

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 134072421) is 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(C(=O)c3ccccc3)CC2)CC1c1ccncc1.
What is the InChIKey of 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is REJIIYUEXLLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18-17(15-6-10-21-11-7-15)14-20(22-18)8-12-23(13-9-20)19(25)16-4-2-1-3-5-16/h1-7,10-11,17H,8-9,12-14H2,(H,22,24).
What are the key properties of 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 335.41 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134072421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).