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

C20H32N4O2 — CID 70758953

IUPAC2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCCCC(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
InChIKeyWITFXVUAGIDJAR-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.76
Rot. Bonds5

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

2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (PubChem CID 70758953) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
PubChem CID70758953
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one
SMILESCCCC(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
InChIKeyWITFXVUAGIDJAR-UHFFFAOYSA-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

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Related Compounds

4-(2-Oxo-2-{4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}ethyl)morpholine
CID 70708382
N-[2-[2-(cyclopropylamino)-6-morpholin-4-ylpyrimidin-4-yl]ethyl]-2,2-dimethylpropanamide
CID 46958237
N-(3-hydroxypropyl)-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56710094
N-ethyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}propanamide
CID 56886571
2-{4-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56895028
N-ethyl-N-methyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56903888
N-cyclopropyl-2-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}acetamide
CID 56910246
(2S)-2-methyl-3-{4-[2-methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-1-propanol
CID 56914426
2-{3-[2-Methyl-6-(4-morpholinyl)-4-pyrimidinyl]-1-piperidinyl}-2-oxoethanol
CID 56915341
4-{6-[1-(Isopropoxyacetyl)-4-piperidinyl]-2-methyl-4-pyrimidinyl}morpholine
CID 70709841
2-(2-Hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70732116
2-(3-Hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70733151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one (CID 70758953) is 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is CCCC(C)C(=O)N1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
The InChIKey is WITFXVUAGIDJAR-UHFFFAOYSA-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.
What are the key properties of 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one?
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 2-methyl-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 70758953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).