1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone

C18H28N4O3 — CID 94124960

IUPAC1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3c(C)noc3C)CC2)C1
InChIInChI=1S/C18H28N4O3/c1-13-17(14(2)25-19-13)12-20-7-9-21(10-8-20)18(24)16-5-4-6-22(11-16)15(3)23/h16H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyXXLMGGQNVINVNZ-MRXNPFEDSA-N
MW348.45 g/mol
LogP1.19
Rot. Bonds3

About 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 94124960) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID94124960
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3c(C)noc3C)CC2)C1
InChIInChI=1S/C18H28N4O3/c1-13-17(14(2)25-19-13)12-20-7-9-21(10-8-20)18(24)16-5-4-6-22(11-16)15(3)23/h16H,4-12H2,1-3H3/t16-/m1/s1
InChIKeyXXLMGGQNVINVNZ-MRXNPFEDSA-N
XLogP1.19
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[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]-1,4-diazepan-1-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 134701430
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 55718864
[(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
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;dihydrochloride
CID 120644122
1-[4-(1-acetylpiperidine-3-carbonyl)piperazin-1-yl]ethanone
CID 110686076
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119857152
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000213
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 94382598
1-[3-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 72929438
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110646579

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 94124960) is 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3c(C)noc3C)CC2)C1.
What is the InChIKey of 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is XXLMGGQNVINVNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-17(14(2)25-19-13)12-20-7-9-21(10-8-20)18(24)16-5-4-6-22(11-16)15(3)23/h16H,4-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 348.45 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 94124960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).