N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine

C14H22N4O2 — CID 123471404

IUPACN-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESC1COC(c2noc(C3CNCCC3NC3CC3)n2)C1
InChIInChI=1S/C14H22N4O2/c1-2-12(19-7-1)13-17-14(20-18-13)10-8-15-6-5-11(10)16-9-3-4-9/h9-12,15-16H,1-8H2
InChIKeyMKISMVRYNSYKEZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.12
Rot. Bonds4

About N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine

N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (PubChem CID 123471404) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
PubChem CID123471404
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
SMILESC1COC(c2noc(C3CNCCC3NC3CC3)n2)C1
InChIInChI=1S/C14H22N4O2/c1-2-12(19-7-1)13-17-14(20-18-13)10-8-15-6-5-11(10)16-9-3-4-9/h9-12,15-16H,1-8H2
InChIKeyMKISMVRYNSYKEZ-UHFFFAOYSA-N
XLogP1.12
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The IUPAC name of N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine (CID 123471404) is N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The canonical SMILES for N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is C1COC(c2noc(C3CNCCC3NC3CC3)n2)C1.
What is the InChIKey of N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
The InChIKey is MKISMVRYNSYKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-12(19-7-1)13-17-14(20-18-13)10-8-15-6-5-11(10)16-9-3-4-9/h9-12,15-16H,1-8H2.
What are the key properties of N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine?
N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine has a molecular weight of 278.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine is sourced from PubChem (CID 123471404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).