[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone

C20H23N3O — CID 95043573

IUPAC[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@@]2(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C20H23N3O/c24-19(18-7-11-21-12-8-18)22-14-10-20(16-22)9-4-13-23(20)15-17-5-2-1-3-6-17/h1-3,5-8,11-12H,4,9-10,13-16H2/t20-/m0/s1
InChIKeyBBBWTEUJXRQTHO-FQEVSTJZSA-N
MW321.42 g/mol
LogP2.96
Rot. Bonds3

About [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone

[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone (PubChem CID 95043573) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
PubChem CID95043573
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CC[C@@]2(CCCN2Cc2ccccc2)C1
InChIInChI=1S/C20H23N3O/c24-19(18-7-11-21-12-8-18)22-14-10-20(16-22)9-4-13-23(20)15-17-5-2-1-3-6-17/h1-3,5-8,11-12H,4,9-10,13-16H2/t20-/m0/s1
InChIKeyBBBWTEUJXRQTHO-FQEVSTJZSA-N
XLogP2.96
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-9-yl]-pyridin-4-ylmethanone
CID 134078846
1-[1'-(pyridin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl]ethanone
CID 155900251
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 131650091
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
1-(1-benzyl-1,9-diazaspiro[4.5]decan-9-yl)-2-(4-chlorophenyl)ethanone
CID 131647501
tert-butyl 1-benzyl-1,7-diazaspiro[4.4]nonane-7-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 157149578
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563
[(5S)-1-[(3-chlorophenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]-(1,3-thiazol-4-yl)methanone
CID 97393075
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134078359
phenyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134791465
[(2R)-oxolan-2-yl]-[(5R)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 124803616

Frequently Asked Questions

What is the IUPAC name of [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone (CID 95043573) is [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CC[C@@]2(CCCN2Cc2ccccc2)C1.
What is the InChIKey of [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone?
The InChIKey is BBBWTEUJXRQTHO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23N3O/c24-19(18-7-11-21-12-8-18)22-14-10-20(16-22)9-4-13-23(20)15-17-5-2-1-3-6-17/h1-3,5-8,11-12H,4,9-10,13-16H2/t20-/m0/s1.
What are the key properties of [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone?
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone has a molecular weight of 321.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95043573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).