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

C17H26N6O — CID 95606569

IUPAC(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
SMILESCCn1ccnc1CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H26N6O/c1-2-23-9-7-18-16(23)10-19-14-4-3-8-22(11-14)12-15-20-17(24-21-15)13-5-6-13/h7,9,13-14,19H,2-6,8,10-12H2,1H3/t14-/m0/s1
InChIKeyZOPQDUBAMUCIAY-AWEZNQCLSA-N
MW330.44 g/mol
LogP1.92
Rot. Bonds7

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

(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine (PubChem CID 95606569) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
PubChem CID95606569
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
SMILESCCn1ccnc1CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C17H26N6O/c1-2-23-9-7-18-16(23)10-19-14-4-3-8-22(11-14)12-15-20-17(24-21-15)13-5-6-13/h7,9,13-14,19H,2-6,8,10-12H2,1H3/t14-/m0/s1
InChIKeyZOPQDUBAMUCIAY-AWEZNQCLSA-N
XLogP1.92
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine (CID 95606569) is (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine is CCn1ccnc1CN[C@H]1CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
The InChIKey is ZOPQDUBAMUCIAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N6O/c1-2-23-9-7-18-16(23)10-19-14-4-3-8-22(11-14)12-15-20-17(24-21-15)13-5-6-13/h7,9,13-14,19H,2-6,8,10-12H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine?
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine has a molecular weight of 330.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 95606569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).