N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

C15H28N4O2 — CID 70287167

IUPACN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-13(20)16-11-15(21)19-9-7-18(8-10-19)12-14-3-5-17(2)6-4-14/h14H,3-12H2,1-2H3,(H,16,20)
InChIKeyPCJQXVYMUYDESU-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.39
Rot. Bonds4

About N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide

N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 70287167) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID70287167
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC NameN-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-13(20)16-11-15(21)19-9-7-18(8-10-19)12-14-3-5-17(2)6-4-14/h14H,3-12H2,1-2H3,(H,16,20)
InChIKeyPCJQXVYMUYDESU-UHFFFAOYSA-N
XLogP-0.39
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide (CID 70287167) is N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is PCJQXVYMUYDESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-13(20)16-11-15(21)19-9-7-18(8-10-19)12-14-3-5-17(2)6-4-14/h14H,3-12H2,1-2H3,(H,16,20).
What are the key properties of N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide?
N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 296.41 g/mol, XLogP of -0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 70287167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).