(1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one

C18H25N3O — CID 146118022

IUPAC(1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
SMILESO=C1[C@H]2C[C@H](CCN2C2CCCC2)CN1Cc1ccccn1
InChIInChI=1S/C18H25N3O/c22-18-17-11-14(8-10-21(17)16-6-1-2-7-16)12-20(18)13-15-5-3-4-9-19-15/h3-5,9,14,16-17H,1-2,6-8,10-13H2/t14-,17+/m0/s1
InChIKeyVZQQYMPCSKJFBN-WMLDXEAASA-N
MW299.42 g/mol
LogP2.45
Rot. Bonds3

About (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one

(1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one (PubChem CID 146118022) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one.

Molecular Properties

Compound Name(1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
PubChem CID146118022
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
SMILESO=C1[C@H]2C[C@H](CCN2C2CCCC2)CN1Cc1ccccn1
InChIInChI=1S/C18H25N3O/c22-18-17-11-14(8-10-21(17)16-6-1-2-7-16)12-20(18)13-15-5-3-4-9-19-15/h3-5,9,14,16-17H,1-2,6-8,10-13H2/t14-,17+/m0/s1
InChIKeyVZQQYMPCSKJFBN-WMLDXEAASA-N
XLogP2.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one with MolForge

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Related Compounds

(1R,5S)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one
CID 146118014
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
3-(methylamino)-4-methylidene-1-(pyridin-2-ylmethyl)azepan-2-one
CID 89340854
5-methyl-3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one
CID 20590041
(3aR,7aR)-2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 92764794
(1S,5R,6R)-5-ethenyl-3-(pyridin-2-ylmethyl)-10-pyridin-2-ylsulfonyl-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118257723
3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91925939
3-methyl-1-(pyridin-2-ylmethyl)-1,4-diazocan-2-one
CID 117016241
4-ethynyl-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168501874
3-methyl-1-(pyridin-2-ylmethyl)piperazin-2-one
CID 63606119
3-[4-(2-ethylphenyl)sulfonylpiperazin-1-yl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91925955
(1S,5R,6R)-10-(3,5-dichloro-4-hydroxyphenyl)sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
CID 118257718

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The IUPAC name of (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one (CID 146118022) is (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one.
What is the SMILES notation for (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The canonical SMILES for (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one is O=C1[C@H]2C[C@H](CCN2C2CCCC2)CN1Cc1ccccn1.
What is the InChIKey of (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
The InChIKey is VZQQYMPCSKJFBN-WMLDXEAASA-N. The full InChI is InChI=1S/C18H25N3O/c22-18-17-11-14(8-10-21(17)16-6-1-2-7-16)12-20(18)13-15-5-3-4-9-19-15/h3-5,9,14,16-17H,1-2,6-8,10-13H2/t14-,17+/m0/s1.
What are the key properties of (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one?
(1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one has a molecular weight of 299.42 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-cyclopentyl-7-(pyridin-2-ylmethyl)-2,7-diazabicyclo[3.3.1]nonan-8-one is sourced from PubChem (CID 146118022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).