[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

C16H26N4O2 — CID 119857152

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C16H26N4O2/c1-12-14(13(2)22-18-12)11-19-7-9-20(10-8-19)16(21)15-5-3-4-6-17-15/h15,17H,3-11H2,1-2H3/t15-/m1/s1
InChIKeyORMXPQXEAMZURZ-OAHLLOKOSA-N
MW306.41 g/mol
LogP1.08
Rot. Bonds3

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 119857152) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID119857152
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESCc1noc(C)c1CN1CCN(C(=O)[C@H]2CCCCN2)CC1
InChIInChI=1S/C16H26N4O2/c1-12-14(13(2)22-18-12)11-19-7-9-20(10-8-19)16(21)15-5-3-4-6-17-15/h15,17H,3-11H2,1-2H3/t15-/m1/s1
InChIKeyORMXPQXEAMZURZ-OAHLLOKOSA-N
XLogP1.08
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone with MolForge

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Related Compounds

[(2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 125146013
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119857214
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 146064499
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;dihydrochloride
CID 120644122
pyrrolidin-2-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903207
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 94124960
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110646579
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134701430
piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60937029
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 94382598
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 75527444

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 119857152) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone is Cc1noc(C)c1CN1CCN(C(=O)[C@H]2CCCCN2)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is ORMXPQXEAMZURZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12-14(13(2)22-18-12)11-19-7-9-20(10-8-19)16(21)15-5-3-4-6-17-15/h15,17H,3-11H2,1-2H3/t15-/m1/s1.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 119857152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).