N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

C16H25N5O — CID 56707526

IUPACN-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C3CCNCC3)nc(C)n2)C1
InChIInChI=1S/C16H25N5O/c1-11-18-15(13-3-6-17-7-4-13)9-16(19-11)21-8-5-14(10-21)20-12(2)22/h9,13-14,17H,3-8,10H2,1-2H3,(H,20,22)
InChIKeyUBSPIXNEQXSUIS-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.97
Rot. Bonds3

About N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide

N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (PubChem CID 56707526) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
PubChem CID56707526
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2cc(C3CCNCC3)nc(C)n2)C1
InChIInChI=1S/C16H25N5O/c1-11-18-15(13-3-6-17-7-4-13)9-16(19-11)21-8-5-14(10-21)20-12(2)22/h9,13-14,17H,3-8,10H2,1-2H3,(H,20,22)
InChIKeyUBSPIXNEQXSUIS-UHFFFAOYSA-N
XLogP0.97
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide (CID 56707526) is N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2cc(C3CCNCC3)nc(C)n2)C1.
What is the InChIKey of N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is UBSPIXNEQXSUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11-18-15(13-3-6-17-7-4-13)9-16(19-11)21-8-5-14(10-21)20-12(2)22/h9,13-14,17H,3-8,10H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide?
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 56707526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).