4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide

C18H22N4O2 — CID 75496968

IUPAC4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide
SMILESCc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-13-2-7-17(23)16(20-13)12-21-8-10-22(11-9-21)15-5-3-14(4-6-15)18(19)24/h2-7,23H,8-12H2,1H3,(H2,19,24)
InChIKeyZBJVZOWVJJWLAP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.52
Rot. Bonds4

About 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide

4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide (PubChem CID 75496968) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide
PubChem CID75496968
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide
SMILESCc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C18H22N4O2/c1-13-2-7-17(23)16(20-13)12-21-8-10-22(11-9-21)15-5-3-14(4-6-15)18(19)24/h2-7,23H,8-12H2,1H3,(H2,19,24)
InChIKeyZBJVZOWVJJWLAP-UHFFFAOYSA-N
XLogP1.52
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide (CID 75496968) is 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide is Cc1ccc(O)c(CN2CCN(c3ccc(C(N)=O)cc3)CC2)n1.
What is the InChIKey of 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide?
The InChIKey is ZBJVZOWVJJWLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-2-7-17(23)16(20-13)12-21-8-10-22(11-9-21)15-5-3-14(4-6-15)18(19)24/h2-7,23H,8-12H2,1H3,(H2,19,24).
What are the key properties of 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide?
4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 75496968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).