(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone

C16H17N3O2 — CID 170207899

IUPAC(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(-c2ccccc2)n1)N1CCCC(O)C1
InChIInChI=1S/C16H17N3O2/c20-13-7-4-10-19(11-13)16(21)14-8-9-17-15(18-14)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,20H,4,7,10-11H2
InChIKeyGWBVLCDHHAFEFC-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.74
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone

(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone (PubChem CID 170207899) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
PubChem CID170207899
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone
SMILESO=C(c1ccnc(-c2ccccc2)n1)N1CCCC(O)C1
InChIInChI=1S/C16H17N3O2/c20-13-7-4-10-19(11-13)16(21)14-8-9-17-15(18-14)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,20H,4,7,10-11H2
InChIKeyGWBVLCDHHAFEFC-UHFFFAOYSA-N
XLogP1.74
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-hydroxypiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 107224794
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
3-hydroxy-N-(2-phenylpyrimidin-5-yl)piperidine-1-carboxamide
CID 48739524
(3-hydroxypiperidin-1-yl)-(7-phenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 110900762
(2-bromo-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103754387
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702
(2-fluoro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300639
[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone
CID 58110219
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
(2-phenylpyrimidin-4-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 138017008
3-[4-(3-hydroxypiperidin-1-yl)pyrimidin-2-yl]benzoic acid
CID 77084816
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone (CID 170207899) is (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone is O=C(c1ccnc(-c2ccccc2)n1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone?
The InChIKey is GWBVLCDHHAFEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-13-7-4-10-19(11-13)16(21)14-8-9-17-15(18-14)12-5-2-1-3-6-12/h1-3,5-6,8-9,13,20H,4,7,10-11H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone?
(3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone has a molecular weight of 283.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(2-phenylpyrimidin-4-yl)methanone is sourced from PubChem (CID 170207899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).