N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

C18H20BrN3O — CID 991645

IUPACN-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyKKQNGFDPBOUNHF-UHFFFAOYSA-N
MW374.28 g/mol
LogP3.21
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 991645) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID991645
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKeyKKQNGFDPBOUNHF-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 991645) is N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is KKQNGFDPBOUNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23).
What are the key properties of N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 374.28 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 991645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).