(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone

C22H25FN4O3 — CID 92636277

IUPAC(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25FN4O3/c1-15-18(22(29)26-10-12-30-13-11-26)14-24-20(25-15)19-4-2-3-9-27(19)21(28)16-5-7-17(23)8-6-16/h5-8,14,19H,2-4,9-13H2,1H3/t19-/m1/s1
InChIKeyQRFYUONFGGAGRI-LJQANCHMSA-N
MW412.47 g/mol
LogP2.76
Rot. Bonds3

About (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone (PubChem CID 92636277) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
PubChem CID92636277
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
SMILESCc1nc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)N1CCOCC1
InChIInChI=1S/C22H25FN4O3/c1-15-18(22(29)26-10-12-30-13-11-26)14-24-20(25-15)19-4-2-3-9-27(19)21(28)16-5-7-17(23)8-6-16/h5-8,14,19H,2-4,9-13H2,1H3/t19-/m1/s1
InChIKeyQRFYUONFGGAGRI-LJQANCHMSA-N
XLogP2.76
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636594
[4-methyl-2-[1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247915
2-[1-(4-fluorobenzoyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110248981
(2-methyl-3H-benzimidazol-5-yl)-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92637289
[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247617
3-(4-fluorophenyl)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 110247872
(5-fluoro-1H-indol-2-yl)-[(2S)-2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 92639956
2-(3-fluorophenyl)-2-methyl-1-[(2S)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92637294
2-(4-fluorophenoxy)-1-[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 110247587
2-(1-benzoylpyrrolidin-2-yl)-N-(4-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110247451
[2-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110248963
[4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636015

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone (CID 92636277) is (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone is Cc1nc([C@H]2CCCCN2C(=O)c2ccc(F)cc2)ncc1C(=O)N1CCOCC1.
What is the InChIKey of (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?
The InChIKey is QRFYUONFGGAGRI-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-15-18(22(29)26-10-12-30-13-11-26)14-24-20(25-15)19-4-2-3-9-27(19)21(28)16-5-7-17(23)8-6-16/h5-8,14,19H,2-4,9-13H2,1H3/t19-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone has a molecular weight of 412.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(2R)-2-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 92636277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).