2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide

C18H28N6O2 — CID 70726880

IUPAC2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)nc(N2CCN(C(=O)C3CCN(CC(N)=O)CC3)CC2)n1
InChIInChI=1S/C18H28N6O2/c1-13-11-14(2)21-18(20-13)24-9-7-23(8-10-24)17(26)15-3-5-22(6-4-15)12-16(19)25/h11,15H,3-10,12H2,1-2H3,(H2,19,25)
InChIKeyYVGIXGWNFZGMAO-UHFFFAOYSA-N
MW360.46 g/mol
LogP-0.06
Rot. Bonds4

About 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide

2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide (PubChem CID 70726880) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
PubChem CID70726880
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
SMILESCc1cc(C)nc(N2CCN(C(=O)C3CCN(CC(N)=O)CC3)CC2)n1
InChIInChI=1S/C18H28N6O2/c1-13-11-14(2)21-18(20-13)24-9-7-23(8-10-24)17(26)15-3-5-22(6-4-15)12-16(19)25/h11,15H,3-10,12H2,1-2H3,(H2,19,25)
InChIKeyYVGIXGWNFZGMAO-UHFFFAOYSA-N
XLogP-0.06
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide (CID 70726880) is 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide is Cc1cc(C)nc(N2CCN(C(=O)C3CCN(CC(N)=O)CC3)CC2)n1.
What is the InChIKey of 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
The InChIKey is YVGIXGWNFZGMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-13-11-14(2)21-18(20-13)24-9-7-23(8-10-24)17(26)15-3-5-22(6-4-15)12-16(19)25/h11,15H,3-10,12H2,1-2H3,(H2,19,25).
What are the key properties of 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide?
2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 70726880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).