[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H28N6O3 — CID 72879018

IUPAC[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CNC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1)N1CCOCC1
InChIInChI=1S/C19H28N6O3/c26-17(23-4-6-25(7-5-23)19-21-2-1-3-22-19)15-12-16(14-20-13-15)18(27)24-8-10-28-11-9-24/h1-3,15-16,20H,4-14H2/t15-,16+/m1/s1
InChIKeyITWMCPOTGKGQAC-CVEARBPZSA-N
MW388.47 g/mol
LogP-0.79
Rot. Bonds3

About [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 72879018) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID72879018
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C([C@@H]1CNC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1)N1CCOCC1
InChIInChI=1S/C19H28N6O3/c26-17(23-4-6-25(7-5-23)19-21-2-1-3-22-19)15-12-16(14-20-13-15)18(27)24-8-10-28-11-9-24/h1-3,15-16,20H,4-14H2/t15-,16+/m1/s1
InChIKeyITWMCPOTGKGQAC-CVEARBPZSA-N
XLogP-0.79
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-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

piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
morpholin-4-yl-(5-pyrimidin-2-yl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)methanone
CID 134075987
[6-(morpholine-4-carbonyl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109096023
(1-methylpyrrolidin-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110855027
(4-pyrimidin-2-ylpiperazin-1-yl)-(thiolan-3-yl)methanone
CID 110854975
[2-(morpholine-4-carbonyl)cyclopropyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109133323
(3S,5S)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133133235
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
CID 110696756

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 72879018) is [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C([C@@H]1CNC[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1)N1CCOCC1.
What is the InChIKey of [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ITWMCPOTGKGQAC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H28N6O3/c26-17(23-4-6-25(7-5-23)19-21-2-1-3-22-19)15-12-16(14-20-13-15)18(27)24-8-10-28-11-9-24/h1-3,15-16,20H,4-14H2/t15-,16+/m1/s1.
What are the key properties of [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 388.47 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-(morpholine-4-carbonyl)piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 72879018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).