1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one

C20H32N4O2 — CID 70741044

IUPAC1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C20H32N4O2/c1-3-4-5-8-20(25)24-9-6-7-17(15-24)18-14-19(22-16(2)21-18)23-10-12-26-13-11-23/h14,17H,3-13,15H2,1-2H3
InChIKeyIISQSWROTSACBK-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.91
Rot. Bonds6

About 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one

1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one (PubChem CID 70741044) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
PubChem CID70741044
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1
InChIInChI=1S/C20H32N4O2/c1-3-4-5-8-20(25)24-9-6-7-17(15-24)18-14-19(22-16(2)21-18)23-10-12-26-13-11-23/h14,17H,3-13,15H2,1-2H3
InChIKeyIISQSWROTSACBK-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 70753175
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-[(3S)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]-2-propoxyethanone
CID 95869237
2-(dimethylamino)-1-[(3R)-3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 95867348
(5-methyl-1H-imidazol-4-yl)-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 70758157
(2R)-2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
CID 95883020
N-methyl-3-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propanamide
CID 56906505
3-(4-methylpyrazol-1-yl)-1-[(3S)-3-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 95872739
(2S)-2-hydroxy-3-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]butan-1-one
CID 95866877
1-[3-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxamide
CID 56906285
[(1S)-2,2-dimethylcyclopropyl]-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95897837

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one (CID 70741044) is 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one is CCCCCC(=O)N1CCCC(c2cc(N3CCOCC3)nc(C)n2)C1.
What is the InChIKey of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one?
The InChIKey is IISQSWROTSACBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-4-5-8-20(25)24-9-6-7-17(15-24)18-14-19(22-16(2)21-18)23-10-12-26-13-11-23/h14,17H,3-13,15H2,1-2H3.
What are the key properties of 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one?
1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 70741044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).