2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one

C20H28N6O2 — CID 70715847

IUPAC2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(n2ccnc2-c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C20H28N6O2/c1-15(2)19(27)25-6-3-4-17(14-25)26-7-5-21-18(26)16-12-22-20(23-13-16)24-8-10-28-11-9-24/h5,7,12-13,15,17H,3-4,6,8-11,14H2,1-2H3
InChIKeyXXPZGFSQZIFDLK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one

2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 70715847) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID70715847
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCCC(n2ccnc2-c2cnc(N3CCOCC3)nc2)C1
InChIInChI=1S/C20H28N6O2/c1-15(2)19(27)25-6-3-4-17(14-25)26-7-5-21-18(26)16-12-22-20(23-13-16)24-8-10-28-11-9-24/h5,7,12-13,15,17H,3-4,6,8-11,14H2,1-2H3
InChIKeyXXPZGFSQZIFDLK-UHFFFAOYSA-N
XLogP2.00
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44158465
2-ethyl-5-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)pyrimidine
CID 70781196
9-[(1-Methylimidazol-2-yl)methyl]-4-pyrimidin-5-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451085
US10906888, Example 124
CID 139580340
N~4~-butyl-N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-4-piperidinecarboxamide
CID 53165778
N~4~-methyl-1-(4-morpholino-5-pyrimidinyl)-N~4~-propyl-4-piperidinecarboxamide
CID 53165824
N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide
CID 123494632
4-{5-fluoro-2-[3-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-pyrimidinyl}morpholine
CID 72840504
4-{5-fluoro-2-[3-(1H-imidazol-1-ylmethyl)-1-piperidinyl]-4-pyrimidinyl}morpholine
CID 72937447
4-[5-fluoro-2-[(3R)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine
CID 97187351
4-[5-fluoro-2-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidin-4-yl]morpholine
CID 97187352
4-(5-Fluoropyrimidin-2-yl)-9-[(1-methylimidazol-2-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97451012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one (CID 70715847) is 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCCC(n2ccnc2-c2cnc(N3CCOCC3)nc2)C1.
What is the InChIKey of 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is XXPZGFSQZIFDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(2)19(27)25-6-3-4-17(14-25)26-7-5-21-18(26)16-12-22-20(23-13-16)24-8-10-28-11-9-24/h5,7,12-13,15,17H,3-4,6,8-11,14H2,1-2H3.
What are the key properties of 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70715847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).