[6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone

C35H31N3O2S4 — CID 110184176

IUPAC[6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(=C(c3ccsc3)c3ccsc3)CC2)nc1)N1CCC(=C(c2ccsc2)c2ccsc2)CC1
InChIInChI=1S/C35H31N3O2S4/c39-34(37-11-3-24(4-12-37)32(27-7-15-41-20-27)28-8-16-42-21-28)26-1-2-31(36-19-26)35(40)38-13-5-25(6-14-38)33(29-9-17-43-22-29)30-10-18-44-23-30/h1-2,7-10,15-23H,3-6,11-14H2
InChIKeyDSSPYFSKUVRWGT-UHFFFAOYSA-N
MW653.92 g/mol
LogP8.80
Rot. Bonds6

About [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone

[6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone (PubChem CID 110184176) has the molecular formula C35H31N3O2S4 and a molecular weight of 653.92 g/mol. Its IUPAC name is [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone
PubChem CID110184176
Molecular FormulaC35H31N3O2S4
Molecular Weight653.92 g/mol
Exact Mass653.13
IUPAC Name[6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone
SMILESO=C(c1ccc(C(=O)N2CCC(=C(c3ccsc3)c3ccsc3)CC2)nc1)N1CCC(=C(c2ccsc2)c2ccsc2)CC1
InChIInChI=1S/C35H31N3O2S4/c39-34(37-11-3-24(4-12-37)32(27-7-15-41-20-27)28-8-16-42-21-28)26-1-2-31(36-19-26)35(40)38-13-5-25(6-14-38)33(29-9-17-43-22-29)30-10-18-44-23-30/h1-2,7-10,15-23H,3-6,11-14H2
InChIKeyDSSPYFSKUVRWGT-UHFFFAOYSA-N
XLogP8.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.92
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyridine-2-carboxylic acid
CID 43414813
(4-hydroxyiminopiperidin-1-yl)-thiophen-3-ylmethanone
CID 24699677
5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 120533579
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
piperidin-1-yl-(6-thiophen-3-yl-3-pyridinyl)methanone
CID 53014233
5-(4-hydroxypiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43414812
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 62787900
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-2-carboxylic acid
CID 43414633

Frequently Asked Questions

What is the IUPAC name of [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone?
The IUPAC name of [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone (CID 110184176) is [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone.
What is the SMILES notation for [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone?
The canonical SMILES for [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone is O=C(c1ccc(C(=O)N2CCC(=C(c3ccsc3)c3ccsc3)CC2)nc1)N1CCC(=C(c2ccsc2)c2ccsc2)CC1.
What is the InChIKey of [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone?
The InChIKey is DSSPYFSKUVRWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N3O2S4/c39-34(37-11-3-24(4-12-37)32(27-7-15-41-20-27)28-8-16-42-21-28)26-1-2-31(36-19-26)35(40)38-13-5-25(6-14-38)33(29-9-17-43-22-29)30-10-18-44-23-30/h1-2,7-10,15-23H,3-6,11-14H2.
What are the key properties of [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone?
[6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone has a molecular weight of 653.92 g/mol, XLogP of 8.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[di(thiophen-3-yl)methylidene]piperidine-1-carbonyl]-3-pyridinyl]-[4-[di(thiophen-3-yl)methylidene]piperidin-1-yl]methanone is sourced from PubChem (CID 110184176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).