1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone

C16H24ClN5O — CID 172592102

IUPAC1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(Cl)c(N3CCCCC3)n2)CC1
InChIInChI=1S/C16H24ClN5O/c1-12(23)21-9-5-13(6-10-21)19-16-18-11-14(17)15(20-16)22-7-3-2-4-8-22/h11,13H,2-10H2,1H3,(H,18,19,20)
InChIKeyLZZQCFZTGMTRQG-UHFFFAOYSA-N
MW337.86 g/mol
LogP2.54
Rot. Bonds3

About 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone

1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 172592102) has the molecular formula C16H24ClN5O and a molecular weight of 337.86 g/mol. Its IUPAC name is 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID172592102
Molecular FormulaC16H24ClN5O
Molecular Weight337.86 g/mol
Exact Mass337.17
IUPAC Name1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2ncc(Cl)c(N3CCCCC3)n2)CC1
InChIInChI=1S/C16H24ClN5O/c1-12(23)21-9-5-13(6-10-21)19-16-18-11-14(17)15(20-16)22-7-3-2-4-8-22/h11,13H,2-10H2,1H3,(H,18,19,20)
InChIKeyLZZQCFZTGMTRQG-UHFFFAOYSA-N
XLogP2.54
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone (CID 172592102) is 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2ncc(Cl)c(N3CCCCC3)n2)CC1.
What is the InChIKey of 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is LZZQCFZTGMTRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN5O/c1-12(23)21-9-5-13(6-10-21)19-16-18-11-14(17)15(20-16)22-7-3-2-4-8-22/h11,13H,2-10H2,1H3,(H,18,19,20).
What are the key properties of 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 337.86 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-4-piperidin-1-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 172592102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).