[2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone

C18H21ClN4O2 — CID 139012602

IUPAC[2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2nnc(C3CC3)o2)cc1Cl)N1CCCCC1
InChIInChI=1S/C18H21ClN4O2/c19-15-10-13(20-11-16-21-22-17(25-16)12-4-5-12)6-7-14(15)18(24)23-8-2-1-3-9-23/h6-7,10,12,20H,1-5,8-9,11H2
InChIKeyLTSIJTTZPLSEOR-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.84
Rot. Bonds5

About [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone

[2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone (PubChem CID 139012602) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone
PubChem CID139012602
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name[2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(NCc2nnc(C3CC3)o2)cc1Cl)N1CCCCC1
InChIInChI=1S/C18H21ClN4O2/c19-15-10-13(20-11-16-21-22-17(25-16)12-4-5-12)6-7-14(15)18(24)23-8-2-1-3-9-23/h6-7,10,12,20H,1-5,8-9,11H2
InChIKeyLTSIJTTZPLSEOR-UHFFFAOYSA-N
XLogP3.84
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone (CID 139012602) is [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(NCc2nnc(C3CC3)o2)cc1Cl)N1CCCCC1.
What is the InChIKey of [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is LTSIJTTZPLSEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c19-15-10-13(20-11-16-21-22-17(25-16)12-4-5-12)6-7-14(15)18(24)23-8-2-1-3-9-23/h6-7,10,12,20H,1-5,8-9,11H2.
What are the key properties of [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone?
[2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 360.85 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methylamino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 139012602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).