[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

C20H25N5O2 — CID 56903217

IUPAC[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C20H25N5O2/c26-18-5-10-24(11-6-18)17-3-8-25(9-4-17)20(27)16-13-22-19(23-14-16)15-2-1-7-21-12-15/h1-2,7,12-14,17-18,26H,3-6,8-11H2
InChIKeyBMDBWWCDFKIHCF-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.60
Rot. Bonds3

About [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (PubChem CID 56903217) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
PubChem CID56903217
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2cccnc2)nc1)N1CCC(N2CCC(O)CC2)CC1
InChIInChI=1S/C20H25N5O2/c26-18-5-10-24(11-6-18)17-3-8-25(9-4-17)20(27)16-13-22-19(23-14-16)15-2-1-7-21-12-15/h1-2,7,12-14,17-18,26H,3-6,8-11H2
InChIKeyBMDBWWCDFKIHCF-UHFFFAOYSA-N
XLogP1.60
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 156605241
N-[1-(2-pyridin-3-ylpyrimidine-5-carbonyl)piperidin-4-yl]methanesulfonamide
CID 72890935
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
[4-(2-ethylphenyl)piperazin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 74249829
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 72915231
[(2S)-2-pyridin-3-ylpiperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193301
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 56758492
[(3R)-3-(4-fluorophenoxy)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 95140625
[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97187193
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 56756758

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone (CID 56903217) is [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2cccnc2)nc1)N1CCC(N2CCC(O)CC2)CC1.
What is the InChIKey of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
The InChIKey is BMDBWWCDFKIHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-18-5-10-24(11-6-18)17-3-8-25(9-4-17)20(27)16-13-22-19(23-14-16)15-2-1-7-21-12-15/h1-2,7,12-14,17-18,26H,3-6,8-11H2.
What are the key properties of [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone?
[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 56903217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).