1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

C17H21N3O2 — CID 119374953

IUPAC1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCC(N)CC1
InChIInChI=1S/C17H21N3O2/c1-12-15(11-16(21)20-9-7-14(18)8-10-20)19-17(22-12)13-5-3-2-4-6-13/h2-6,14H,7-11,18H2,1H3
InChIKeyMBENDHBMSKOHMB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.14
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone

1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (PubChem CID 119374953) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
PubChem CID119374953
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
SMILESCc1oc(-c2ccccc2)nc1CC(=O)N1CCC(N)CC1
InChIInChI=1S/C17H21N3O2/c1-12-15(11-16(21)20-9-7-14(18)8-10-20)19-17(22-12)13-5-3-2-4-6-13/h2-6,14H,7-11,18H2,1H3
InChIKeyMBENDHBMSKOHMB-UHFFFAOYSA-N
XLogP2.14
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 124691943
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167546
4-ethyl-3-[1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23993543
1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
CID 110673679
(3aS,6aS)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]-1,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-2-one
CID 154570959
N,N-diethyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 55513764
N-[(3R,4S)-4-hydroxy-1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperidin-3-yl]-2-methoxyacetamide
CID 146039683
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 138381218

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone (CID 119374953) is 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
The InChIKey is MBENDHBMSKOHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-15(11-16(21)20-9-7-14(18)8-10-20)19-17(22-12)13-5-3-2-4-6-13/h2-6,14H,7-11,18H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone?
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone is sourced from PubChem (CID 119374953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).