1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine

C28H32N2S2 — CID 177477330

IUPAC1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine
SMILESC(=C/c1cc(N2CCCCC2)c(/C=C/c2cccs2)cc1N1CCCCC1)\c1cccs1
InChIInChI=1S/C28H32N2S2/c1-3-15-29(16-4-1)27-21-24(12-14-26-10-8-20-32-26)28(30-17-5-2-6-18-30)22-23(27)11-13-25-9-7-19-31-25/h7-14,19-22H,1-6,15-18H2/b13-11+,14-12+
InChIKeyDVGYSJMUCATEMN-PHEQNACWSA-N
MW460.71 g/mol
LogP8.13
Rot. Bonds6

About 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine

1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine (PubChem CID 177477330) has the molecular formula C28H32N2S2 and a molecular weight of 460.71 g/mol. Its IUPAC name is 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine.

Molecular Properties

Compound Name1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine
PubChem CID177477330
Molecular FormulaC28H32N2S2
Molecular Weight460.71 g/mol
Exact Mass460.20
IUPAC Name1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine
SMILESC(=C/c1cc(N2CCCCC2)c(/C=C/c2cccs2)cc1N1CCCCC1)\c1cccs1
InChIInChI=1S/C28H32N2S2/c1-3-15-29(16-4-1)27-21-24(12-14-26-10-8-20-32-26)28(30-17-5-2-6-18-30)22-23(27)11-13-25-9-7-19-31-25/h7-14,19-22H,1-6,15-18H2/b13-11+,14-12+
InChIKeyDVGYSJMUCATEMN-PHEQNACWSA-N
XLogP8.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.71
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pyrrolidin-1-yl-5-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]benzoate
CID 6929118
CID 11426392
CID 11426392
(E)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 16546991
5-piperidin-1-yl-2-(2-thiophen-2-ylethenyl)-1,3-oxazole-4-carbonitrile
CID 4750727
1-[4-pyrrolidin-1-yl-2,5-bis[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]pyrrolidine
CID 102408630
N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine
CID 961227
(E)-2-thiophen-2-ylethenol
CID 89297537
2,3,5,6-tetrakis[(E)-2-thiophen-2-ylethenyl]pyrazine
CID 19937826
2-(2-naphthalen-1-ylethenyl)thiophene
CID 71318541
1-[2-[(E)-2-thiophen-2-ylethenyl]phenyl]pyrazole
CID 155934631
N,N-dimethyl-2-piperidin-1-yl-5-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 94849742
4-[(E)-2-thiophen-2-ylethenyl]-1,3-dithiole-2-thione
CID 12601876

Frequently Asked Questions

What is the IUPAC name of 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine?
The IUPAC name of 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine (CID 177477330) is 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine.
What is the SMILES notation for 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine?
The canonical SMILES for 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine is C(=C/c1cc(N2CCCCC2)c(/C=C/c2cccs2)cc1N1CCCCC1)\c1cccs1.
What is the InChIKey of 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine?
The InChIKey is DVGYSJMUCATEMN-PHEQNACWSA-N. The full InChI is InChI=1S/C28H32N2S2/c1-3-15-29(16-4-1)27-21-24(12-14-26-10-8-20-32-26)28(30-17-5-2-6-18-30)22-23(27)11-13-25-9-7-19-31-25/h7-14,19-22H,1-6,15-18H2/b13-11+,14-12+.
What are the key properties of 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine?
1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine has a molecular weight of 460.71 g/mol, XLogP of 8.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-piperidin-1-yl-2,5-bis[(E)-2-thiophen-2-ylethenyl]phenyl]piperidine is sourced from PubChem (CID 177477330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).