1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine

C18H21NO2S2 — CID 110183503

IUPAC1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine
SMILESc1cc(C(=C2CCN(CC3OCCO3)CC2)c2ccsc2)cs1
InChIInChI=1S/C18H21NO2S2/c1-5-19(11-17-20-7-8-21-17)6-2-14(1)18(15-3-9-22-12-15)16-4-10-23-13-16/h3-4,9-10,12-13,17H,1-2,5-8,11H2
InChIKeyLECKRNXNFNHELO-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.08
Rot. Bonds4

About 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine

1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine (PubChem CID 110183503) has the molecular formula C18H21NO2S2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine
PubChem CID110183503
Molecular FormulaC18H21NO2S2
Molecular Weight347.50 g/mol
Exact Mass347.10
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine
SMILESc1cc(C(=C2CCN(CC3OCCO3)CC2)c2ccsc2)cs1
InChIInChI=1S/C18H21NO2S2/c1-5-19(11-17-20-7-8-21-17)6-2-14(1)18(15-3-9-22-12-15)16-4-10-23-13-16/h3-4,9-10,12-13,17H,1-2,5-8,11H2
InChIKeyLECKRNXNFNHELO-UHFFFAOYSA-N
XLogP4.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine (CID 110183503) is 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine is c1cc(C(=C2CCN(CC3OCCO3)CC2)c2ccsc2)cs1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine?
The InChIKey is LECKRNXNFNHELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S2/c1-5-19(11-17-20-7-8-21-17)6-2-14(1)18(15-3-9-22-12-15)16-4-10-23-13-16/h3-4,9-10,12-13,17H,1-2,5-8,11H2.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine?
1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine has a molecular weight of 347.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-4-[di(thiophen-3-yl)methylidene]piperidine is sourced from PubChem (CID 110183503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).