(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one

C20H23N3O — CID 92574940

IUPAC(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccnc2)N1
InChIInChI=1S/C20H23N3O/c24-19-9-4-10-20(22-19)15-23(13-16-6-2-1-3-7-16)14-18(20)17-8-5-11-21-12-17/h1-3,5-8,11-12,18H,4,9-10,13-15H2,(H,22,24)/t18-,20+/m0/s1
InChIKeyRQCZVUNGZDNNME-AZUAARDMSA-N
MW321.42 g/mol
LogP2.72
Rot. Bonds3

About (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one

(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one (PubChem CID 92574940) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
PubChem CID92574940
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
SMILESO=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccnc2)N1
InChIInChI=1S/C20H23N3O/c24-19-9-4-10-20(22-19)15-23(13-16-6-2-1-3-7-16)14-18(20)17-8-5-11-21-12-17/h1-3,5-8,11-12,18H,4,9-10,13-15H2,(H,22,24)/t18-,20+/m0/s1
InChIKeyRQCZVUNGZDNNME-AZUAARDMSA-N
XLogP2.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S)-4-pyridin-3-yl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92570751
(4R,5S)-4-pyridin-3-yl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92572962
(4R,5S)-4-phenyl-2-[(4-pyrimidin-2-yloxyphenyl)methyl]-2,6-diazaspiro[4.5]decan-7-one
CID 92575491
(4R,5S)-2-[(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-4-pyridin-3-yl-2,6-diazaspiro[4.6]undecan-7-one
CID 92562283
(4R,5S)-2-piperidin-1-ylsulfonyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one
CID 92570749
(4R,5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 110131026
(4R,5S)-4-pyridin-2-yl-2-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-2,6-diazaspiro[4.6]undecan-7-one
CID 92572959
(4R,5S)-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92583127
(4R,5S)-2-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92611453
(4R,5S)-2-[[2-(dimethylamino)quinolin-3-yl]methyl]-4-phenyl-2,6-diazaspiro[4.5]decan-7-one
CID 92606807
N-[4-[(4R,5S)-2-[(3-methoxyphenyl)methyl]-7-oxo-2,6-diazaspiro[4.5]decan-4-yl]phenyl]acetamide
CID 92550677
(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97384074

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
The IUPAC name of (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one (CID 92574940) is (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one.
What is the SMILES notation for (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
The canonical SMILES for (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one is O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2cccnc2)N1.
What is the InChIKey of (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
The InChIKey is RQCZVUNGZDNNME-AZUAARDMSA-N. The full InChI is InChI=1S/C20H23N3O/c24-19-9-4-10-20(22-19)15-23(13-16-6-2-1-3-7-16)14-18(20)17-8-5-11-21-12-17/h1-3,5-8,11-12,18H,4,9-10,13-15H2,(H,22,24)/t18-,20+/m0/s1.
What are the key properties of (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one?
(4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one has a molecular weight of 321.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-2-benzyl-4-pyridin-3-yl-2,6-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 92574940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).