3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile

C15H18N4OS — CID 11243580

IUPAC3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C15H18N4OS/c16-7-15-12(3-6-21-15)9-19-4-1-14(2-5-19)20-10-13-8-17-11-18-13/h3,6,8,11,14H,1-2,4-5,9-10H2,(H,17,18)
InChIKeyORWQHOWEAHZUTE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.52
Rot. Bonds5

About 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile

3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile (PubChem CID 11243580) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile
PubChem CID11243580
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1CN1CCC(OCc2cnc[nH]2)CC1
InChIInChI=1S/C15H18N4OS/c16-7-15-12(3-6-21-15)9-19-4-1-14(2-5-19)20-10-13-8-17-11-18-13/h3,6,8,11,14H,1-2,4-5,9-10H2,(H,17,18)
InChIKeyORWQHOWEAHZUTE-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile?
The IUPAC name of 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile (CID 11243580) is 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile.
What is the SMILES notation for 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile?
The canonical SMILES for 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile is N#Cc1sccc1CN1CCC(OCc2cnc[nH]2)CC1.
What is the InChIKey of 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile?
The InChIKey is ORWQHOWEAHZUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-7-15-12(3-6-21-15)9-19-4-1-14(2-5-19)20-10-13-8-17-11-18-13/h3,6,8,11,14H,1-2,4-5,9-10H2,(H,17,18).
What are the key properties of 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile?
3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile has a molecular weight of 302.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1H-imidazol-5-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carbonitrile is sourced from PubChem (CID 11243580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).