1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone

C17H26N4O — CID 83980030

IUPAC1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
SMILESCC1CCN(C(=O)C(c2ccncc2)N2CCNCC2)CC1
InChIInChI=1S/C17H26N4O/c1-14-4-10-21(11-5-14)17(22)16(15-2-6-18-7-3-15)20-12-8-19-9-13-20/h2-3,6-7,14,16,19H,4-5,8-13H2,1H3
InChIKeyWRWGAHOUAOOOIY-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.29
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone

1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone (PubChem CID 83980030) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
PubChem CID83980030
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
SMILESCC1CCN(C(=O)C(c2ccncc2)N2CCNCC2)CC1
InChIInChI=1S/C17H26N4O/c1-14-4-10-21(11-5-14)17(22)16(15-2-6-18-7-3-15)20-12-8-19-9-13-20/h2-3,6-7,14,16,19H,4-5,8-13H2,1H3
InChIKeyWRWGAHOUAOOOIY-UHFFFAOYSA-N
XLogP1.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone (CID 83980030) is 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone is CC1CCN(C(=O)C(c2ccncc2)N2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
The InChIKey is WRWGAHOUAOOOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-14-4-10-21(11-5-14)17(22)16(15-2-6-18-7-3-15)20-12-8-19-9-13-20/h2-3,6-7,14,16,19H,4-5,8-13H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone has a molecular weight of 302.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone is sourced from PubChem (CID 83980030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).