4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine

C24H36N4S — CID 5247925

IUPAC4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine
SMILESC1=CC(c2sc(C3CCNCC3)c(C3CCNCC3)c2C2CCNCC2)=CCN1
InChIInChI=1S/C24H36N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h5-6,13,17-18,20,25-28H,1-4,7-12,14-16H2
InChIKeyPSBOGCIEWWEDDZ-UHFFFAOYSA-N
MW412.65 g/mol
LogP3.65
Rot. Bonds4

About 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine

4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine (PubChem CID 5247925) has the molecular formula C24H36N4S and a molecular weight of 412.65 g/mol. Its IUPAC name is 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine
PubChem CID5247925
Molecular FormulaC24H36N4S
Molecular Weight412.65 g/mol
Exact Mass412.27
IUPAC Name4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine
SMILESC1=CC(c2sc(C3CCNCC3)c(C3CCNCC3)c2C2CCNCC2)=CCN1
InChIInChI=1S/C24H36N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h5-6,13,17-18,20,25-28H,1-4,7-12,14-16H2
InChIKeyPSBOGCIEWWEDDZ-UHFFFAOYSA-N
XLogP3.65
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.65
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-dihydropyridin-4-yl)-4,6-di(piperidin-4-yl)-1,3,5-triazinane
CID 5246784
4-(4-chloro-2,3,5,6-tetrafluorophenyl)piperidine
CID 117116603
4-(4-tert-butyl-2,6-difluorophenyl)piperidine
CID 121475944
4-chloro-5-piperidin-4-yl-1,2-thiazole
CID 84671187
4-(3-ethylthiophen-2-yl)piperidine
CID 82399934
4-(1-benzothiophen-2-yl)piperidine
CID 22028239
3,5-difluoro-4-piperidin-4-ylphenol
CID 84782646
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
4-(6-bromo-3,4-dimethoxy-2-methylphenyl)piperidine
CID 117499633
4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117390767
4-[2-[9,9-diethyl-7-(2-piperidin-4-ylethynyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl]ethynyl]-1,2-dihydropyridine
CID 5231724
4-(3-bromothiophen-2-yl)azepane
CID 83261383

Frequently Asked Questions

What is the IUPAC name of 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine?
The IUPAC name of 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine (CID 5247925) is 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine.
What is the SMILES notation for 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine?
The canonical SMILES for 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine is C1=CC(c2sc(C3CCNCC3)c(C3CCNCC3)c2C2CCNCC2)=CCN1.
What is the InChIKey of 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine?
The InChIKey is PSBOGCIEWWEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h5-6,13,17-18,20,25-28H,1-4,7-12,14-16H2.
What are the key properties of 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine?
4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine has a molecular weight of 412.65 g/mol, XLogP of 3.65, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4,5-tri(piperidin-4-yl)thiophen-2-yl]-1,2-dihydropyridine is sourced from PubChem (CID 5247925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).