(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone

C22H28N4O2 — CID 97207141

IUPAC(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(19-16-23-22(24-17-19)25-12-14-28-15-13-25)26-11-5-4-8-20(26)10-9-18-6-2-1-3-7-18/h1-3,6-7,16-17,20H,4-5,8-15H2/t20-/m1/s1
InChIKeyKLUMNJKUXDDBER-HXUWFJFHSA-N
MW380.49 g/mol
LogP2.94
Rot. Bonds5

About (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone

(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 97207141) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID97207141
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(N2CCOCC2)nc1)N1CCCC[C@@H]1CCc1ccccc1
InChIInChI=1S/C22H28N4O2/c27-21(19-16-23-22(24-17-19)25-12-14-28-15-13-25)26-11-5-4-8-20(26)10-9-18-6-2-1-3-7-18/h1-3,6-7,16-17,20H,4-5,8-15H2/t20-/m1/s1
InChIKeyKLUMNJKUXDDBER-HXUWFJFHSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96576779
(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
3,4-dihydro-2H-pyran-5-yl-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97247319
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
4-[5-(2-phenylethyl)pyrimidin-2-yl]morpholine
CID 138973898
(2-morpholin-4-ylpyrimidin-5-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018229
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
(2-ethylpiperidin-1-yl)-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 109262220
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
methyl 6-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylate
CID 87046966

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone (CID 97207141) is (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1cnc(N2CCOCC2)nc1)N1CCCC[C@@H]1CCc1ccccc1.
What is the InChIKey of (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is KLUMNJKUXDDBER-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21(19-16-23-22(24-17-19)25-12-14-28-15-13-25)26-11-5-4-8-20(26)10-9-18-6-2-1-3-7-18/h1-3,6-7,16-17,20H,4-5,8-15H2/t20-/m1/s1.
What are the key properties of (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone?
(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97207141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).