2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide

C17H26FN5O — CID 166953281

IUPAC2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide
SMILESCC1CC(C2CCN(CC(N)=O)CC2)CCN1c1ncc(F)cn1
InChIInChI=1S/C17H26FN5O/c1-12-8-14(13-2-5-22(6-3-13)11-16(19)24)4-7-23(12)17-20-9-15(18)10-21-17/h9-10,12-14H,2-8,11H2,1H3,(H2,19,24)
InChIKeyVZSPCONSEKWXOR-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.42
Rot. Bonds4

About 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide

2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide (PubChem CID 166953281) has the molecular formula C17H26FN5O and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide
PubChem CID166953281
Molecular FormulaC17H26FN5O
Molecular Weight335.43 g/mol
Exact Mass335.21
IUPAC Name2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide
SMILESCC1CC(C2CCN(CC(N)=O)CC2)CCN1c1ncc(F)cn1
InChIInChI=1S/C17H26FN5O/c1-12-8-14(13-2-5-22(6-3-13)11-16(19)24)4-7-23(12)17-20-9-15(18)10-21-17/h9-10,12-14H,2-8,11H2,1H3,(H2,19,24)
InChIKeyVZSPCONSEKWXOR-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide (CID 166953281) is 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide is CC1CC(C2CCN(CC(N)=O)CC2)CCN1c1ncc(F)cn1.
What is the InChIKey of 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide?
The InChIKey is VZSPCONSEKWXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN5O/c1-12-8-14(13-2-5-22(6-3-13)11-16(19)24)4-7-23(12)17-20-9-15(18)10-21-17/h9-10,12-14H,2-8,11H2,1H3,(H2,19,24).
What are the key properties of 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide?
2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-fluoropyrimidin-2-yl)-2-methylpiperidin-4-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 166953281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).