(7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C17H23N3O — CID 930296

IUPAC(7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCC[C@H]1Cc2nc(N3CCCCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H23N3O/c1-2-6-15-10-16-14(12-21-15)9-13(11-18)17(19-16)20-7-4-3-5-8-20/h9,15H,2-8,10,12H2,1H3/t15-/m0/s1
InChIKeyKRNAFDDKNWHFKO-HNNXBMFYSA-N
MW285.39 g/mol
LogP3.18
Rot. Bonds3

About (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

(7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 930296) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name(7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID930296
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCCC[C@H]1Cc2nc(N3CCCCC3)c(C#N)cc2CO1
InChIInChI=1S/C17H23N3O/c1-2-6-15-10-16-14(12-21-15)9-13(11-18)17(19-16)20-7-4-3-5-8-20/h9,15H,2-8,10,12H2,1H3/t15-/m0/s1
InChIKeyKRNAFDDKNWHFKO-HNNXBMFYSA-N
XLogP3.18
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Related Compounds

7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 143095873
ethane;7-methyl-5-oxo-2-piperidin-1-yl-7,8-dihydro-6H-quinoline-3-carbonitrile
CID 143095872
2-[2-(aminomethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 114399435
2-(4-methylazepan-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 63627036
2-(4,4-dimethylazepan-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 65280859
2-[3-(methoxymethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 64598310
2-(3-hydroxypiperidin-1-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940480
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 112806857
2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
2-[3-(dimethylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63184392
6-amino-2-piperidin-1-ylquinoline-3-carbonitrile
CID 28719765
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 63267750

Frequently Asked Questions

What is the IUPAC name of (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 930296) is (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is CCC[C@H]1Cc2nc(N3CCCCC3)c(C#N)cc2CO1.
What is the InChIKey of (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is KRNAFDDKNWHFKO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-6-15-10-16-14(12-21-15)9-13(11-18)17(19-16)20-7-4-3-5-8-20/h9,15H,2-8,10,12H2,1H3/t15-/m0/s1.
What are the key properties of (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
(7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-piperidin-1-yl-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 930296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).