[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

C13H20N4O2 — CID 115825892

IUPAC[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESNC1CCN(C2CCN(C(=O)c3ccno3)C2)CC1
InChIInChI=1S/C13H20N4O2/c14-10-2-6-16(7-3-10)11-4-8-17(9-11)13(18)12-1-5-15-19-12/h1,5,10-11H,2-4,6-9,14H2
InChIKeyZJFXOOBUMHFJHX-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.31
Rot. Bonds2

About [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 115825892) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID115825892
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESNC1CCN(C2CCN(C(=O)c3ccno3)C2)CC1
InChIInChI=1S/C13H20N4O2/c14-10-2-6-16(7-3-10)11-4-8-17(9-11)13(18)12-1-5-15-19-12/h1,5,10-11H,2-4,6-9,14H2
InChIKeyZJFXOOBUMHFJHX-UHFFFAOYSA-N
XLogP0.31
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 80553795
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-chlorofuran-2-yl)methanone
CID 80553743
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760
[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 126947144
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(4-chlorophenyl)methanone
CID 80552612
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824
methyl 1-(1,2-oxazole-5-carbonyl)pyrrolidine-3-carboxylate
CID 115825393
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80553930
1-[1-[1-(1,2-oxazole-5-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948144

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 115825892) is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is NC1CCN(C2CCN(C(=O)c3ccno3)C2)CC1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is ZJFXOOBUMHFJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-10-2-6-16(7-3-10)11-4-8-17(9-11)13(18)12-1-5-15-19-12/h1,5,10-11H,2-4,6-9,14H2.
What are the key properties of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone?
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 115825892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).