2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide

C18H29N5O2 — CID 136552980

IUPAC2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1
InChIInChI=1S/C18H29N5O2/c1-18(25)5-9-23(10-6-18)16-12-15(20-13-21-16)22-7-3-14(4-8-22)11-17(24)19-2/h12-14,25H,3-11H2,1-2H3,(H,19,24)
InChIKeyCHIQZURQIABRJK-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide

2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide (PubChem CID 136552980) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
PubChem CID136552980
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide
SMILESCNC(=O)CC1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1
InChIInChI=1S/C18H29N5O2/c1-18(25)5-9-23(10-6-18)16-12-15(20-13-21-16)22-7-3-14(4-8-22)11-17(24)19-2/h12-14,25H,3-11H2,1-2H3,(H,19,24)
InChIKeyCHIQZURQIABRJK-UHFFFAOYSA-N
XLogP1.18
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide (CID 136552980) is 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide is CNC(=O)CC1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1.
What is the InChIKey of 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is CHIQZURQIABRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-18(25)5-9-23(10-6-18)16-12-15(20-13-21-16)22-7-3-14(4-8-22)11-17(24)19-2/h12-14,25H,3-11H2,1-2H3,(H,19,24).
What are the key properties of 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide?
2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 136552980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).