(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one

C20H32N4O2 — CID 95883020

IUPAC(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C20H32N4O2/c1-4-5-15(2)20(25)24-8-6-17(7-9-24)18-14-19(22-16(3)21-18)23-10-12-26-13-11-23/h14-15,17H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyWITFXVUAGIDJAR-OAHLLOKOSA-N
MW360.50 g/mol
LogP2.76
Rot. Bonds5

About (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one

(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (PubChem CID 95883020) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
PubChem CID95883020
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCCC[C@@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1
InChIInChI=1S/C20H32N4O2/c1-4-5-15(2)20(25)24-8-6-17(7-9-24)18-14-19(22-16(3)21-18)23-10-12-26-13-11-23/h14-15,17H,4-13H2,1-3H3/t15-/m1/s1
InChIKeyWITFXVUAGIDJAR-OAHLLOKOSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one with MolForge

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Related Compounds

(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95866877
[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95897837
1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
CID 70741044
N-methyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 56908006
2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 70753175
N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
CID 56906505
3-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanoic acid
CID 70780123
[(3R)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95867832
1-[4-[2-methyl-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 126430096
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
CID 56882461
(5-methyl-1H-imidazol-4-yl)-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70758157
1-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
CID 95869237

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (CID 95883020) is (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is CCC[C@@H](C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is WITFXVUAGIDJAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-5-15(2)20(25)24-8-6-17(7-9-24)18-14-19(22-16(3)21-18)23-10-12-26-13-11-23/h14-15,17H,4-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 95883020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).