[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone

C14H24N4O3 — CID 56862173

IUPAC[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C(=O)N2CCCC(C(C)(C)O)C2)o1
InChIInChI=1S/C14H24N4O3/c1-14(2,20)10-6-5-7-18(8-10)13(19)12-16-15-11(21-12)9-17(3)4/h10,20H,5-9H2,1-4H3
InChIKeyPWDJCSBRYGXQBY-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.75
Rot. Bonds4

About [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone

[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (PubChem CID 56862173) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
PubChem CID56862173
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C(=O)N2CCCC(C(C)(C)O)C2)o1
InChIInChI=1S/C14H24N4O3/c1-14(2,20)10-6-5-7-18(8-10)13(19)12-16-15-11(21-12)9-17(3)4/h10,20H,5-9H2,1-4H3
InChIKeyPWDJCSBRYGXQBY-UHFFFAOYSA-N
XLogP0.75
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

1-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]butan-1-one
CID 165439552
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-(5-propyl-1,3,4-oxadiazol-2-yl)methanone
CID 56918196
3-(2-hydroxypropan-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 46997326
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 86286733
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 110392676
2-methoxy-1-[4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56870827
2-methyl-2-[1-(2H-triazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 83198185
(3R)-N-(5-ethyl-1-methyl-1,2,4-triazol-3-yl)-3-(2-hydroxypropan-2-yl)piperidine-1-carboxamide
CID 94168321
1-(3-tert-butylpiperidin-1-yl)propan-1-one
CID 59751403
[(3R)-3-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 51696644

Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone (CID 56862173) is [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is CN(C)Cc1nnc(C(=O)N2CCCC(C(C)(C)O)C2)o1.
What is the InChIKey of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
The InChIKey is PWDJCSBRYGXQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,20)10-6-5-7-18(8-10)13(19)12-16-15-11(21-12)9-17(3)4/h10,20H,5-9H2,1-4H3.
What are the key properties of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone?
[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56862173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).