[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone

C16H24N10O4 — CID 11452890

IUPAC[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
SMILESNc1nonc1C(=O)N1CCN(CCN2CCN(C(=O)c3nonc3N)CC2)CC1
InChIInChI=1S/C16H24N10O4/c17-13-11(19-29-21-13)15(27)25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)16(28)12-14(18)22-30-20-12/h1-10H2,(H2,17,21)(H2,18,22)
InChIKeyGJSGEAONUYLZAO-UHFFFAOYSA-N
MW420.43 g/mol
LogP-2.17
Rot. Bonds5

About [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone

[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone (PubChem CID 11452890) has the molecular formula C16H24N10O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
PubChem CID11452890
Molecular FormulaC16H24N10O4
Molecular Weight420.43 g/mol
Exact Mass420.20
IUPAC Name[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone
SMILESNc1nonc1C(=O)N1CCN(CCN2CCN(C(=O)c3nonc3N)CC2)CC1
InChIInChI=1S/C16H24N10O4/c17-13-11(19-29-21-13)15(27)25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)16(28)12-14(18)22-30-20-12/h1-10H2,(H2,17,21)(H2,18,22)
InChIKeyGJSGEAONUYLZAO-UHFFFAOYSA-N
XLogP-2.17
TPSA176.98 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
The IUPAC name of [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone (CID 11452890) is [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone.
What is the SMILES notation for [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
The canonical SMILES for [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone is Nc1nonc1C(=O)N1CCN(CCN2CCN(C(=O)c3nonc3N)CC2)CC1.
What is the InChIKey of [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
The InChIKey is GJSGEAONUYLZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N10O4/c17-13-11(19-29-21-13)15(27)25-7-3-23(4-8-25)1-2-24-5-9-26(10-6-24)16(28)12-14(18)22-30-20-12/h1-10H2,(H2,17,21)(H2,18,22).
What are the key properties of [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone?
[4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone has a molecular weight of 420.43 g/mol, XLogP of -2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazin-1-yl]ethyl]piperazin-1-yl]-(4-amino-1,2,5-oxadiazol-3-yl)methanone is sourced from PubChem (CID 11452890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).