1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone

C17H27N5O2 — CID 126887439

IUPAC1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(O)(CN2CCC(Nc3ccncn3)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-14(23)22-8-2-6-17(24,12-22)11-21-9-4-15(5-10-21)20-16-3-7-18-13-19-16/h3,7,13,15,24H,2,4-6,8-12H2,1H3,(H,18,19,20)
InChIKeyHSRKHLOLMDGKRD-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.73
Rot. Bonds4

About 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone

1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 126887439) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID126887439
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(O)(CN2CCC(Nc3ccncn3)CC2)C1
InChIInChI=1S/C17H27N5O2/c1-14(23)22-8-2-6-17(24,12-22)11-21-9-4-15(5-10-21)20-16-3-7-18-13-19-16/h3,7,13,15,24H,2,4-6,8-12H2,1H3,(H,18,19,20)
InChIKeyHSRKHLOLMDGKRD-UHFFFAOYSA-N
XLogP0.73
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 126887440
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126890734
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
1-[3-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-3-hydroxyazepan-1-yl]ethanone
CID 126890732
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
3-[[4-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-methylsulfonylpiperidin-3-ol
CID 126888700
N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
CID 126887116
1-[3-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 126912236
N-[4-[(4S)-4-[(4-acetylpiperazin-1-yl)methyl]-4-hydroxyazepane-1-carbonyl]-2-pyridinyl]acetamide
CID 124973054
3-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942852
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
N-[1-(azepan-1-ylsulfonyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887254

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone (CID 126887439) is 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(O)(CN2CCC(Nc3ccncn3)CC2)C1.
What is the InChIKey of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is HSRKHLOLMDGKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14(23)22-8-2-6-17(24,12-22)11-21-9-4-15(5-10-21)20-16-3-7-18-13-19-16/h3,7,13,15,24H,2,4-6,8-12H2,1H3,(H,18,19,20).
What are the key properties of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 333.44 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 126887439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).