N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide

C18H24BrN3O2 — CID 165178657

IUPACN-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(cc1Br)C(N1CCN(C3COC3)CC1)CC2
InChIInChI=1S/C18H24BrN3O2/c1-12(23)20-17-8-13-2-3-18(15(13)9-16(17)19)22-6-4-21(5-7-22)14-10-24-11-14/h8-9,14,18H,2-7,10-11H2,1H3,(H,20,23)
InChIKeyLXTRVJGUDSNCHK-UHFFFAOYSA-N
MW394.31 g/mol
LogP2.41
Rot. Bonds3

About N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide

N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide (PubChem CID 165178657) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide.

Molecular Properties

Compound NameN-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide
PubChem CID165178657
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC NameN-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(cc1Br)C(N1CCN(C3COC3)CC1)CC2
InChIInChI=1S/C18H24BrN3O2/c1-12(23)20-17-8-13-2-3-18(15(13)9-16(17)19)22-6-4-21(5-7-22)14-10-24-11-14/h8-9,14,18H,2-7,10-11H2,1H3,(H,20,23)
InChIKeyLXTRVJGUDSNCHK-UHFFFAOYSA-N
XLogP2.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The IUPAC name of N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide (CID 165178657) is N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide.
What is the SMILES notation for N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The canonical SMILES for N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide is CC(=O)Nc1cc2c(cc1Br)C(N1CCN(C3COC3)CC1)CC2.
What is the InChIKey of N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide?
The InChIKey is LXTRVJGUDSNCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c1-12(23)20-17-8-13-2-3-18(15(13)9-16(17)19)22-6-4-21(5-7-22)14-10-24-11-14/h8-9,14,18H,2-7,10-11H2,1H3,(H,20,23).
What are the key properties of N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide?
N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide has a molecular weight of 394.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bromo-1-[4-(oxetan-3-yl)piperazin-1-yl]-2,3-dihydro-1H-inden-5-yl]acetamide is sourced from PubChem (CID 165178657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).