2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

C17H28N4O2 — CID 124872092

IUPAC2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,21-9-11-23-12-10-21)16(22)20-7-4-5-14(13-20)15-18-6-8-19(15)3/h6,8,14H,4-5,7,9-13H2,1-3H3/t14-/m1/s1
InChIKeyCFGHPARTTXPVBY-CQSZACIVSA-N
MW320.44 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one

2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 124872092) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID124872092
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESCn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)C1
InChIInChI=1S/C17H28N4O2/c1-17(2,21-9-11-23-12-10-21)16(22)20-7-4-5-14(13-20)15-18-6-8-19(15)3/h6,8,14H,4-5,7,9-13H2,1-3H3/t14-/m1/s1
InChIKeyCFGHPARTTXPVBY-CQSZACIVSA-N
XLogP1.24
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 118789789
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 96577616
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylethanone
CID 72844026
2-cyclopentyl-1-methylimidazole
CID 83382106
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
N,N-diethyl-2-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]acetamide
CID 96576484
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
CID 96576461
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 124872092) is 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is Cn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)N2CCOCC2)C1.
What is the InChIKey of 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is CFGHPARTTXPVBY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(2,21-9-11-23-12-10-21)16(22)20-7-4-5-14(13-20)15-18-6-8-19(15)3/h6,8,14H,4-5,7,9-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one?
2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 124872092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).