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

C17H20N4O — CID 75524435

IUPAC4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
SMILESCc1cccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C17H20N4O/c1-13-3-2-4-16(19-13)21-11-9-20(10-12-21)15-7-5-14(6-8-15)17(18)22/h2-8H,9-12H2,1H3,(H2,18,22)
InChIKeyCKIDYWGEIWCQDN-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.82
Rot. Bonds3

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

4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide (PubChem CID 75524435) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
PubChem CID75524435
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
SMILESCc1cccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1
InChIInChI=1S/C17H20N4O/c1-13-3-2-4-16(19-13)21-11-9-20(10-12-21)15-7-5-14(6-8-15)17(18)22/h2-8H,9-12H2,1H3,(H2,18,22)
InChIKeyCKIDYWGEIWCQDN-UHFFFAOYSA-N
XLogP1.82
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 163578715
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
1-[4-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 171335167
4-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]benzamide
CID 75496968
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzamide
CID 146132676
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 133313515
ethane;4-(6-methyl-2-pyridinyl)morpholine
CID 143966353
azane;4-(6-methyl-2-pyridinyl)morpholine
CID 175085700
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide (CID 75524435) is 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide is Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1.
What is the InChIKey of 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide?
The InChIKey is CKIDYWGEIWCQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-3-2-4-16(19-13)21-11-9-20(10-12-21)15-7-5-14(6-8-15)17(18)22/h2-8H,9-12H2,1H3,(H2,18,22).
What are the key properties of 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide?
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 75524435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).