N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C17H19BrN4O — CID 3884838

IUPACN-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C17H19BrN4O/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyHISISMMLIPNUMT-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.60
Rot. Bonds4

About N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 3884838) has the molecular formula C17H19BrN4O and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID3884838
Molecular FormulaC17H19BrN4O
Molecular Weight375.27 g/mol
Exact Mass374.07
IUPAC NameN-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C17H19BrN4O/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23)
InChIKeyHISISMMLIPNUMT-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 3884838) is N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is HISISMMLIPNUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O/c18-14-4-3-5-15(12-14)20-17(23)13-21-8-10-22(11-9-21)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2,(H,20,23).
What are the key properties of N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3884838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).