2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone

C17H32N4O2 — CID 131899928

IUPAC2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(C2CCOCC2)CC1)C1CCNCC1
InChIInChI=1S/C17H32N4O2/c1-19(15-2-6-18-7-3-15)14-17(22)21-10-8-20(9-11-21)16-4-12-23-13-5-16/h15-16,18H,2-14H2,1H3
InChIKeyQNRPGPBYUNFFPY-UHFFFAOYSA-N
MW324.47 g/mol
LogP-0.01
Rot. Bonds4

About 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone

2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone (PubChem CID 131899928) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone
PubChem CID131899928
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone
SMILESCN(CC(=O)N1CCN(C2CCOCC2)CC1)C1CCNCC1
InChIInChI=1S/C17H32N4O2/c1-19(15-2-6-18-7-3-15)14-17(22)21-10-8-20(9-11-21)16-4-12-23-13-5-16/h15-16,18H,2-14H2,1H3
InChIKeyQNRPGPBYUNFFPY-UHFFFAOYSA-N
XLogP-0.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone (CID 131899928) is 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone is CN(CC(=O)N1CCN(C2CCOCC2)CC1)C1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone?
The InChIKey is QNRPGPBYUNFFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-19(15-2-6-18-7-3-15)14-17(22)21-10-8-20(9-11-21)16-4-12-23-13-5-16/h15-16,18H,2-14H2,1H3.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone?
2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone has a molecular weight of 324.47 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-1-[4-(oxan-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 131899928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).