[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

C16H16N4O2 — CID 706240

IUPAC[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C16H16N4O2/c21-15(13-1-5-17-6-2-13)19-9-11-20(12-10-19)16(22)14-3-7-18-8-4-14/h1-8H,9-12H2
InChIKeyPQOCAFLVISLZNI-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.07
Rot. Bonds2

About [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone

[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 706240) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID706240
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C16H16N4O2/c21-15(13-1-5-17-6-2-13)19-9-11-20(12-10-19)16(22)14-3-7-18-8-4-14/h1-8H,9-12H2
InChIKeyPQOCAFLVISLZNI-UHFFFAOYSA-N
XLogP1.07
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone (CID 706240) is [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PQOCAFLVISLZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(13-1-5-17-6-2-13)19-9-11-20(12-10-19)16(22)14-3-7-18-8-4-14/h1-8H,9-12H2.
What are the key properties of [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone?
[4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 296.33 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyridine-4-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 706240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).