5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide

C16H20N4O2 — CID 118167791

IUPAC5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide
SMILESCn1cnc(-c2ccc(OC3CCNCC3)c(C(N)=O)c2)c1
InChIInChI=1S/C16H20N4O2/c1-20-9-14(19-10-20)11-2-3-15(13(8-11)16(17)21)22-12-4-6-18-7-5-12/h2-3,8-10,12,18H,4-7H2,1H3,(H2,17,21)
InChIKeyQGEYVWHEYDLAGN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.32
Rot. Bonds4

About 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide

5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide (PubChem CID 118167791) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide.

Molecular Properties

Compound Name5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide
PubChem CID118167791
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide
SMILESCn1cnc(-c2ccc(OC3CCNCC3)c(C(N)=O)c2)c1
InChIInChI=1S/C16H20N4O2/c1-20-9-14(19-10-20)11-2-3-15(13(8-11)16(17)21)22-12-4-6-18-7-5-12/h2-3,8-10,12,18H,4-7H2,1H3,(H2,17,21)
InChIKeyQGEYVWHEYDLAGN-UHFFFAOYSA-N
XLogP1.32
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide?
The IUPAC name of 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide (CID 118167791) is 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide.
What is the SMILES notation for 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide?
The canonical SMILES for 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide is Cn1cnc(-c2ccc(OC3CCNCC3)c(C(N)=O)c2)c1.
What is the InChIKey of 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide?
The InChIKey is QGEYVWHEYDLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20-9-14(19-10-20)11-2-3-15(13(8-11)16(17)21)22-12-4-6-18-7-5-12/h2-3,8-10,12,18H,4-7H2,1H3,(H2,17,21).
What are the key properties of 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide?
5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-4-yl)-2-piperidin-4-yloxybenzamide is sourced from PubChem (CID 118167791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).