N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

C20H23N5OS — CID 123200584

IUPACN-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C20H23N5OS/c26-20(22-11-4-7-15-5-2-1-3-6-15)16-9-13-25(14-10-16)17-8-12-21-19-18(17)23-27-24-19/h1-3,5-6,8,12,16H,4,7,9-11,13-14H2,(H,22,26)
InChIKeyXJSCOSRNMLBIGN-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.05
Rot. Bonds6

About N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide

N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (PubChem CID 123200584) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
PubChem CID123200584
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(c2ccnc3nsnc23)CC1
InChIInChI=1S/C20H23N5OS/c26-20(22-11-4-7-15-5-2-1-3-6-15)16-9-13-25(14-10-16)17-8-12-21-19-18(17)23-27-24-19/h1-3,5-6,8,12,16H,4,7,9-11,13-14H2,(H,22,26)
InChIKeyXJSCOSRNMLBIGN-UHFFFAOYSA-N
XLogP3.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 144637763
butylbenzene;1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carbaldehyde
CID 144637776
N-(1-benzofuran-5-ylmethyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide
CID 123740808
1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46333856
N-(3-phenylpropyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952026
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N-(3-phenylpropyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide
CID 53129966
1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 20889478
1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 50781121
N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 36982143
N-(3-phenylpropyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29136292

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide (CID 123200584) is N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(c2ccnc3nsnc23)CC1.
What is the InChIKey of N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
The InChIKey is XJSCOSRNMLBIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c26-20(22-11-4-7-15-5-2-1-3-6-15)16-9-13-25(14-10-16)17-8-12-21-19-18(17)23-27-24-19/h1-3,5-6,8,12,16H,4,7,9-11,13-14H2,(H,22,26).
What are the key properties of N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide?
N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide has a molecular weight of 381.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-1-([1,2,5]thiadiazolo[3,4-b]pyridin-7-yl)piperidine-4-carboxamide is sourced from PubChem (CID 123200584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).