(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride

C10H16ClN3O2 — CID 72716281

IUPAC(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(N)CC2)no1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-7-6-9(12-15-7)10(14)13-4-2-8(11)3-5-13;/h6,8H,2-5,11H2,1H3;1H
InChIKeyBMVUAXOKGREXGK-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.97
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride (PubChem CID 72716281) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
PubChem CID72716281
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCC(N)CC2)no1.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-7-6-9(12-15-7)10(14)13-4-2-8(11)3-5-13;/h6,8H,2-5,11H2,1H3;1H
InChIKeyBMVUAXOKGREXGK-UHFFFAOYSA-N
XLogP0.97
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloropiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 66155616
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
(4-amino-3-ethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 81457893
[4-(1-bromoethyl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 106839138
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91953940
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
(3-chloro-4-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 102961313
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
2,2-dimethyl-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110328421
[4-[(4-methoxyphenyl)sulfanylmethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 71800952
N-(4-aminocyclohexyl)-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119477538

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride (CID 72716281) is (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCC(N)CC2)no1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride?
The InChIKey is BMVUAXOKGREXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-7-6-9(12-15-7)10(14)13-4-2-8(11)3-5-13;/h6,8H,2-5,11H2,1H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 72716281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).