(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone

C11H17N3O2 — CID 79868336

IUPAC(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C11H17N3O2/c1-7-6-14(4-3-10(7)12)11(15)9-5-13-16-8(9)2/h5,7,10H,3-4,6,12H2,1-2H3
InChIKeyOTBPQVNLJUDPCP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.79
Rot. Bonds1

About (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone

(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 79868336) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID79868336
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
SMILESCc1oncc1C(=O)N1CCC(N)C(C)C1
InChIInChI=1S/C11H17N3O2/c1-7-6-14(4-3-10(7)12)11(15)9-5-13-16-8(9)2/h5,7,10H,3-4,6,12H2,1-2H3
InChIKeyOTBPQVNLJUDPCP-UHFFFAOYSA-N
XLogP0.79
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminoazetidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 65244931
(4-amino-3-methylpiperidin-1-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 103807093
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-3-methylphenyl)methanone
CID 114023943
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 100632774
5-(4-amino-3-methylpiperidine-1-carbonyl)-1H-pyrazin-2-one
CID 79880596
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 107109147
[(3R,4S)-3-(3-hydroxypropyl)-4-(4-methylpiperazin-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 72933270
(5-methyl-1,2-oxazol-4-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241557
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594
(4-amino-3-methylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119592520
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone (CID 79868336) is (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone is Cc1oncc1C(=O)N1CCC(N)C(C)C1.
What is the InChIKey of (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is OTBPQVNLJUDPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-6-14(4-3-10(7)12)11(15)9-5-13-16-8(9)2/h5,7,10H,3-4,6,12H2,1-2H3.
What are the key properties of (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone?
(4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 223.28 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 79868336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).