1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one

C16H25N5O2 — CID 131915588

IUPAC1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCNc1nccc(N2CCC(O)CC2)n1
InChIInChI=1S/C16H25N5O2/c22-13-5-10-20(11-6-13)14-4-7-17-16(19-14)18-8-12-21-9-2-1-3-15(21)23/h4,7,13,22H,1-3,5-6,8-12H2,(H,17,18,19)
InChIKeyMIKDDXFNZYKVOO-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.86
Rot. Bonds5

About 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one

1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one (PubChem CID 131915588) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one
PubChem CID131915588
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCNc1nccc(N2CCC(O)CC2)n1
InChIInChI=1S/C16H25N5O2/c22-13-5-10-20(11-6-13)14-4-7-17-16(19-14)18-8-12-21-9-2-1-3-15(21)23/h4,7,13,22H,1-3,5-6,8-12H2,(H,17,18,19)
InChIKeyMIKDDXFNZYKVOO-UHFFFAOYSA-N
XLogP0.86
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50975698
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
1-[2-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 50985155
(3R)-1-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95123079
4-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891142
1-[2-(3-phenylpropylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193957
N-[2-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
CID 95123015
N-[2-[[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]pyridine-4-carboxamide
CID 50955413
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193922
1-[2-[[3-(hydroxymethyl)phenyl]methylamino]pyrimidin-4-yl]pyrrolidin-3-ol
CID 134710523
1-[2-(3-indol-1-ylpropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 134700926

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one (CID 131915588) is 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one is O=C1CCCCN1CCNc1nccc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one?
The InChIKey is MIKDDXFNZYKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-13-5-10-20(11-6-13)14-4-7-17-16(19-14)18-8-12-21-9-2-1-3-15(21)23/h4,7,13,22H,1-3,5-6,8-12H2,(H,17,18,19).
What are the key properties of 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one?
1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one has a molecular weight of 319.41 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one is sourced from PubChem (CID 131915588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).