2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide

C18H20N4O2 — CID 72938937

IUPAC2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(CN2CCN(c3cc(C(N)=O)ccn3)CC2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-13-2-4-14(5-3-13)11-22-9-8-21(12-17(22)23)16-10-15(18(19)24)6-7-20-16/h2-7,10H,8-9,11-12H2,1H3,(H2,19,24)
InChIKeyQGJPZZFKRWDUES-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.34
Rot. Bonds4

About 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide

2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 72938937) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
PubChem CID72938937
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide
SMILESCc1ccc(CN2CCN(c3cc(C(N)=O)ccn3)CC2=O)cc1
InChIInChI=1S/C18H20N4O2/c1-13-2-4-14(5-3-13)11-22-9-8-21(12-17(22)23)16-10-15(18(19)24)6-7-20-16/h2-7,10H,8-9,11-12H2,1H3,(H2,19,24)
InChIKeyQGJPZZFKRWDUES-UHFFFAOYSA-N
XLogP1.34
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide (CID 72938937) is 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide is Cc1ccc(CN2CCN(c3cc(C(N)=O)ccn3)CC2=O)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is QGJPZZFKRWDUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-2-4-14(5-3-13)11-22-9-8-21(12-17(22)23)16-10-15(18(19)24)6-7-20-16/h2-7,10H,8-9,11-12H2,1H3,(H2,19,24).
What are the key properties of 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide?
2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)methyl]-3-oxopiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72938937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).