1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone

C16H24N4O — CID 95825238

IUPAC1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CCNCC3)ccn2)CC1
InChIInChI=1S/C16H24N4O/c1-13(21)19-8-10-20(11-9-19)16-12-15(4-7-18-16)14-2-5-17-6-3-14/h4,7,12,14,17H,2-3,5-6,8-11H2,1H3
InChIKeyCRLZQYAABSLIOT-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.22
Rot. Bonds2

About 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone

1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone (PubChem CID 95825238) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone
PubChem CID95825238
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CCNCC3)ccn2)CC1
InChIInChI=1S/C16H24N4O/c1-13(21)19-8-10-20(11-9-19)16-12-15(4-7-18-16)14-2-5-17-6-3-14/h4,7,12,14,17H,2-3,5-6,8-11H2,1H3
InChIKeyCRLZQYAABSLIOT-UHFFFAOYSA-N
XLogP1.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone (CID 95825238) is 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CCNCC3)ccn2)CC1.
What is the InChIKey of 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone?
The InChIKey is CRLZQYAABSLIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(21)19-8-10-20(11-9-19)16-12-15(4-7-18-16)14-2-5-17-6-3-14/h4,7,12,14,17H,2-3,5-6,8-11H2,1H3.
What are the key properties of 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone?
1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-piperidin-4-yl-2-pyridinyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 95825238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).