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

C16H25N5O2 — CID 126887440

IUPAC1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(CN2CCC(Nc3ccncn3)CC2)C1
InChIInChI=1S/C16H25N5O2/c1-13(22)21-9-5-16(23,11-21)10-20-7-3-14(4-8-20)19-15-2-6-17-12-18-15/h2,6,12,14,23H,3-5,7-11H2,1H3,(H,17,18,19)
InChIKeyJSVBPTYBNPWAHK-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.34
Rot. Bonds4

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

1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 126887440) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID126887440
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(O)(CN2CCC(Nc3ccncn3)CC2)C1
InChIInChI=1S/C16H25N5O2/c1-13(22)21-9-5-16(23,11-21)10-20-7-3-14(4-8-20)19-15-2-6-17-12-18-15/h2,6,12,14,23H,3-5,7-11H2,1H3,(H,17,18,19)
InChIKeyJSVBPTYBNPWAHK-UHFFFAOYSA-N
XLogP0.34
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]piperidin-1-yl]ethanone
CID 126887439
N,N-dimethyl-2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 144655106
3-[[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 126942852
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-(oxan-4-yl)-4-(pyrimidin-4-ylamino)piperidine-1-carboxamide
CID 126887116
N-[1-(2-imidazol-1-ylethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887338
1-methylsulfonyl-3-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]pyrrolidin-3-ol
CID 126889883
N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124997633
N-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887360
N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 127248093
N-[1-[(3-methyltriazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126887317
N-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171994913

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone (CID 126887440) is 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(O)(CN2CCC(Nc3ccncn3)CC2)C1.
What is the InChIKey of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is JSVBPTYBNPWAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13(22)21-9-5-16(23,11-21)10-20-7-3-14(4-8-20)19-15-2-6-17-12-18-15/h2,6,12,14,23H,3-5,7-11H2,1H3,(H,17,18,19).
What are the key properties of 1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-hydroxy-3-[[4-(pyrimidin-4-ylamino)piperidin-1-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 319.41 g/mol, XLogP of 0.34, 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]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 126887440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).