1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine

C16H23N3OS — CID 56745556

IUPAC1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine
SMILESCOCCn1ccnc1-c1cc(CN2CCCCC2)cs1
InChIInChI=1S/C16H23N3OS/c1-20-10-9-19-8-5-17-16(19)15-11-14(13-21-15)12-18-6-3-2-4-7-18/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3
InChIKeyQLOFGKSGTMGQGQ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.24
Rot. Bonds6

About 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine

1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine (PubChem CID 56745556) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine
PubChem CID56745556
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine
SMILESCOCCn1ccnc1-c1cc(CN2CCCCC2)cs1
InChIInChI=1S/C16H23N3OS/c1-20-10-9-19-8-5-17-16(19)15-11-14(13-21-15)12-18-6-3-2-4-7-18/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3
InChIKeyQLOFGKSGTMGQGQ-UHFFFAOYSA-N
XLogP3.24
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine?
The IUPAC name of 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine (CID 56745556) is 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine.
What is the SMILES notation for 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine?
The canonical SMILES for 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine is COCCn1ccnc1-c1cc(CN2CCCCC2)cs1.
What is the InChIKey of 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine?
The InChIKey is QLOFGKSGTMGQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-20-10-9-19-8-5-17-16(19)15-11-14(13-21-15)12-18-6-3-2-4-7-18/h5,8,11,13H,2-4,6-7,9-10,12H2,1H3.
What are the key properties of 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine?
1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine has a molecular weight of 305.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[1-(2-methoxyethyl)imidazol-2-yl]thiophen-3-yl]methyl]piperidine is sourced from PubChem (CID 56745556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).