N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine

C14H25N5O — CID 123667873

IUPACN-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine
SMILESCC1CCC(c2nnc(CNC3CCNC3)o2)N(C)C1
InChIInChI=1S/C14H25N5O/c1-10-3-4-12(19(2)9-10)14-18-17-13(20-14)8-16-11-5-6-15-7-11/h10-12,15-16H,3-9H2,1-2H3
InChIKeyNTVJMUBMOZXFBU-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.92
Rot. Bonds4

About N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine

N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine (PubChem CID 123667873) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine
PubChem CID123667873
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine
SMILESCC1CCC(c2nnc(CNC3CCNC3)o2)N(C)C1
InChIInChI=1S/C14H25N5O/c1-10-3-4-12(19(2)9-10)14-18-17-13(20-14)8-16-11-5-6-15-7-11/h10-12,15-16H,3-9H2,1-2H3
InChIKeyNTVJMUBMOZXFBU-UHFFFAOYSA-N
XLogP0.92
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine (CID 123667873) is N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine is CC1CCC(c2nnc(CNC3CCNC3)o2)N(C)C1.
What is the InChIKey of N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine?
The InChIKey is NTVJMUBMOZXFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10-3-4-12(19(2)9-10)14-18-17-13(20-14)8-16-11-5-6-15-7-11/h10-12,15-16H,3-9H2,1-2H3.
What are the key properties of N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine?
N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine has a molecular weight of 279.39 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,5-dimethylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 123667873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).