2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride

C14H25ClN4O2 — CID 119744961

IUPAC2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCC(c2nc(C)no2)CC1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-4-9(2)12(15)14(19)18-7-5-11(6-8-18)13-16-10(3)17-20-13;/h9,11-12H,4-8,15H2,1-3H3;1H
InChIKeyPDYFUJFCYCKDFX-UHFFFAOYSA-N
MW316.83 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride

2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride (PubChem CID 119744961) has the molecular formula C14H25ClN4O2 and a molecular weight of 316.83 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride
PubChem CID119744961
Molecular FormulaC14H25ClN4O2
Molecular Weight316.83 g/mol
Exact Mass316.17
IUPAC Name2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCC(c2nc(C)no2)CC1.Cl
InChIInChI=1S/C14H24N4O2.ClH/c1-4-9(2)12(15)14(19)18-7-5-11(6-8-18)13-16-10(3)17-20-13;/h9,11-12H,4-8,15H2,1-3H3;1H
InChIKeyPDYFUJFCYCKDFX-UHFFFAOYSA-N
XLogP1.88
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119744954
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
(2S)-2-amino-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119301181
(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
(1-aminocyclopentyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119301188
(4-ethylthiadiazol-5-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56816447
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119744960
[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 118780101

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride (CID 119744961) is 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CCC(c2nc(C)no2)CC1.Cl.
What is the InChIKey of 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride?
The InChIKey is PDYFUJFCYCKDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2.ClH/c1-4-9(2)12(15)14(19)18-7-5-11(6-8-18)13-16-10(3)17-20-13;/h9,11-12H,4-8,15H2,1-3H3;1H.
What are the key properties of 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride?
2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-one;hydrochloride is sourced from PubChem (CID 119744961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).