7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one

C17H28N4O2 — CID 129467476

IUPAC7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C17H28N4O2/c18-10-4-2-1-3-7-15(22)21-11-5-6-14(12-21)16-19-17(23-20-16)13-8-9-13/h13-14H,1-12,18H2/t14-/m1/s1
InChIKeyXCWPICCFMSAJBQ-CQSZACIVSA-N
MW320.44 g/mol
LogP2.56
Rot. Bonds8

About 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one

7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one (PubChem CID 129467476) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one.

Molecular Properties

Compound Name7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one
PubChem CID129467476
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one
SMILESNCCCCCCC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1
InChIInChI=1S/C17H28N4O2/c18-10-4-2-1-3-7-15(22)21-11-5-6-14(12-21)16-19-17(23-20-16)13-8-9-13/h13-14H,1-12,18H2/t14-/m1/s1
InChIKeyXCWPICCFMSAJBQ-CQSZACIVSA-N
XLogP2.56
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-1-[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 7440074
6-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 3501836
2-(4-aminophenyl)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 119818407
6-amino-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 3334833
3-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119952465
4-amino-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 119313771
3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 110224458
2-amino-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119818447
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 136528346
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
6-amino-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43590415

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one?
The IUPAC name of 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one (CID 129467476) is 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one.
What is the SMILES notation for 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one?
The canonical SMILES for 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one is NCCCCCCC(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1.
What is the InChIKey of 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one?
The InChIKey is XCWPICCFMSAJBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N4O2/c18-10-4-2-1-3-7-15(22)21-11-5-6-14(12-21)16-19-17(23-20-16)13-8-9-13/h13-14H,1-12,18H2/t14-/m1/s1.
What are the key properties of 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one?
7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one has a molecular weight of 320.44 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]heptan-1-one is sourced from PubChem (CID 129467476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).