tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate

C16H27N3O4 — CID 125452222

IUPACtert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
SMILESCCCc1noc(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3O4/c1-5-7-12-17-13(23-18-12)10-16(21)8-6-9-19(11-16)14(20)22-15(2,3)4/h21H,5-11H2,1-4H3/t16-/m0/s1
InChIKeyGRNIVZDKSOAUSV-INIZCTEOSA-N
MW325.41 g/mol
LogP2.33
Rot. Bonds4

About tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate

tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate (PubChem CID 125452222) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
PubChem CID125452222
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
SMILESCCCc1noc(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C16H27N3O4/c1-5-7-12-17-13(23-18-12)10-16(21)8-6-9-19(11-16)14(20)22-15(2,3)4/h21H,5-11H2,1-4H3/t16-/m0/s1
InChIKeyGRNIVZDKSOAUSV-INIZCTEOSA-N
XLogP2.33
TPSA88.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3R)-3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-hydroxypiperidine-1-carboxylate
CID 125451368
tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 3-but-3-enyl-3-hydroxypiperidine-1-carboxylate
CID 71762891
tert-butyl 3-ethyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]pyrrolidine-1-carboxylate
CID 103916132
tert-butyl (2S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 80999649
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 71630502
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
1-O-tert-butyl 3-O-ethyl 3-hydroxypiperidine-1,3-dicarboxylate
CID 117273382
tert-butyl 3-(diethylamino)-3-ethylpiperidine-1-carboxylate
CID 165471269
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate (CID 125452222) is tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate is CCCc1noc(C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
The InChIKey is GRNIVZDKSOAUSV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-5-7-12-17-13(23-18-12)10-16(21)8-6-9-19(11-16)14(20)22-15(2,3)4/h21H,5-11H2,1-4H3/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-hydroxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 125452222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).