[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone

C15H25N3O2 — CID 154759823

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(C)c1cc(C(=O)N2CCCC(C(C)N)C2)on1
InChIInChI=1S/C15H25N3O2/c1-4-10(2)13-8-14(20-17-13)15(19)18-7-5-6-12(9-18)11(3)16/h8,10-12H,4-7,9,16H2,1-3H3
InChIKeyXMIUJKBCMGZFJK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.39
Rot. Bonds4

About [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone

[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone (PubChem CID 154759823) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
PubChem CID154759823
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone
SMILESCCC(C)c1cc(C(=O)N2CCCC(C(C)N)C2)on1
InChIInChI=1S/C15H25N3O2/c1-4-10(2)13-8-14(20-17-13)15(19)18-7-5-6-12(9-18)11(3)16/h8,10-12H,4-7,9,16H2,1-3H3
InChIKeyXMIUJKBCMGZFJK-UHFFFAOYSA-N
XLogP2.39
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124611332
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119593498
[3-[(2R)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95776563
(2R)-4-[3-[(2S)-butan-2-yl]-1,2-oxazole-5-carbonyl]morpholine-2-carboxylic acid
CID 129414739
(3-butan-2-yl-1,2-oxazol-5-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 119041972
[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 119594663
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683417
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]methanone
CID 124683414
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167740
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95376983

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone (CID 154759823) is [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone is CCC(C)c1cc(C(=O)N2CCCC(C(C)N)C2)on1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone?
The InChIKey is XMIUJKBCMGZFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-10(2)13-8-14(20-17-13)15(19)18-7-5-6-12(9-18)11(3)16/h8,10-12H,4-7,9,16H2,1-3H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone?
[3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone has a molecular weight of 279.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(3-butan-2-yl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 154759823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).