piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone

C18H23N3OS — CID 166601294

IUPACpiperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ccnc3ccsc23)C1)N1CCCCC1
InChIInChI=1S/C18H23N3OS/c22-18(20-9-2-1-3-10-20)14-5-4-11-21(13-14)16-6-8-19-15-7-12-23-17(15)16/h6-8,12,14H,1-5,9-11,13H2
InChIKeyBXGAIVNBTLMYLB-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.53
Rot. Bonds2

About piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone

piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone (PubChem CID 166601294) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
PubChem CID166601294
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Namepiperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(c2ccnc3ccsc23)C1)N1CCCCC1
InChIInChI=1S/C18H23N3OS/c22-18(20-9-2-1-3-10-20)14-5-4-11-21(13-14)16-6-8-19-15-7-12-23-17(15)16/h6-8,12,14H,1-5,9-11,13H2
InChIKeyBXGAIVNBTLMYLB-UHFFFAOYSA-N
XLogP3.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-thieno[3,2-b]pyridin-7-ylpiperidine-3-carboxamide
CID 172899866
N-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)butanamide
CID 133354808
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136
pyrrolidin-1-yl-[(3R)-1-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 95558166
piperidin-1-yl-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)methanone
CID 134797898
[4-(2-methylphenyl)piperazin-1-yl]-[(3S)-1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl]methanone
CID 92885175
[4-(2-fluorophenyl)piperazin-1-yl]-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 50839504
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
tert-butyl N-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-3-yl)carbamate
CID 122142851
piperidin-1-yl-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methanone
CID 166602700
[1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134035000
(4-benzylpiperidin-1-yl)-(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)methanone
CID 46396546

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone?
The IUPAC name of piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone (CID 166601294) is piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone?
The canonical SMILES for piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone is O=C(C1CCCN(c2ccnc3ccsc23)C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone?
The InChIKey is BXGAIVNBTLMYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c22-18(20-9-2-1-3-10-20)14-5-4-11-21(13-14)16-6-8-19-15-7-12-23-17(15)16/h6-8,12,14H,1-5,9-11,13H2.
What are the key properties of piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone?
piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone has a molecular weight of 329.47 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-thieno[3,2-b]pyridin-7-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 166601294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).