1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine

C17H23N3OS — CID 70718668

IUPAC1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine
SMILESCc1ccsc1-c1nccn1[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H23N3OS/c1-13-5-10-22-16(13)17-18-6-9-20(17)15-12-21-11-14(15)19-7-3-2-4-8-19/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyKSVPEVYPGUXQBV-GJZGRUSLSA-N
MW317.46 g/mol
LogP3.35
Rot. Bonds3

About 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine

1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine (PubChem CID 70718668) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine.

Molecular Properties

Compound Name1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine
PubChem CID70718668
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine
SMILESCc1ccsc1-c1nccn1[C@H]1COC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H23N3OS/c1-13-5-10-22-16(13)17-18-6-9-20(17)15-12-21-11-14(15)19-7-3-2-4-8-19/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyKSVPEVYPGUXQBV-GJZGRUSLSA-N
XLogP3.35
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine?
The IUPAC name of 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine (CID 70718668) is 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine.
What is the SMILES notation for 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine?
The canonical SMILES for 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine is Cc1ccsc1-c1nccn1[C@H]1COC[C@@H]1N1CCCCC1.
What is the InChIKey of 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine?
The InChIKey is KSVPEVYPGUXQBV-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-13-5-10-22-16(13)17-18-6-9-20(17)15-12-21-11-14(15)19-7-3-2-4-8-19/h5-6,9-10,14-15H,2-4,7-8,11-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine?
1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine has a molecular weight of 317.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-[2-(3-methylthiophen-2-yl)imidazol-1-yl]oxolan-3-yl]piperidine is sourced from PubChem (CID 70718668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).